| Year |
Citation |
Score |
| 2020 |
Leman JK, Weitzner BD, Lewis SM, Adolf-Bryfogle J, Alam N, Alford RF, Aprahamian M, Baker D, Barlow KA, Barth P, Basanta B, Bender BJ, Blacklock K, Bonet J, Boyken SE, ... ... Meiler J, et al. Macromolecular modeling and design in Rosetta: recent methods and frameworks. Nature Methods. PMID 32483333 DOI: 10.1038/s41592-020-0848-2 |
1 |
|
| 2020 |
Seacrist CD, Kuenze G, Hoffmann RM, Moeller BE, Burke JE, Meiler J, Blind RD. Integrated Structural Modeling of Full-Length LRH-1 Reveals Inter-domain Interactions Contribute to Receptor Structure and Function. Structure (London, England : 1993). PMID 32433991 DOI: 10.1016/j.str.2020.04.020 |
0.44 |
|
| 2020 |
Brewer KR, Kuenze G, Vanoye CG, George AL, Meiler J, Sanders CR. Structures Illuminate Cardiac Ion Channel Functions in Health and in Long QT Syndrome. Frontiers in Pharmacology. 11: 550. PMID 32431610 DOI: 10.3389/fphar.2020.00550 |
0.44 |
|
| 2020 |
Koehler Leman J, Weitzner BD, Renfrew PD, Lewis SM, Moretti R, Watkins AM, Mulligan VK, Lyskov S, Adolf-Bryfogle J, Labonte JW, Krys J, Bystroff C, Schief W, Gront D, ... ... Meiler J, et al. Better together: Elements of successful scientific software development in a distributed collaborative community. Plos Computational Biology. 16: e1007507. PMID 32365137 DOI: 10.1371/journal.pcbi.1007507 |
1 |
|
| 2020 |
Taylor KC, Kang PW, Hou P, Yang ND, Kuenze G, Smith JA, Shi J, Huang H, White KM, Peng D, George AL, Meiler J, McFeeters RL, Cui J, Sanders CR. Structure and physiological function of the human KCNQ1 channel voltage sensor intermediate state. Elife. 9. PMID 32096762 DOI: 10.7554/eLife.53901 |
0.44 |
|
| 2020 |
Piotrowski C, Moretti R, Ihling CH, Haedicke A, Liepold T, Lipstein N, Meiler J, Jahn O, Sinz A. Delineating the Molecular Basis of the Calmodulin‒bMunc13-2 Interaction by Cross-Linking/Mass Spectrometry-Evidence for a Novel CaM Binding Motif in bMunc13-2. Cells. 9. PMID 31936129 DOI: 10.3390/cells9010136 |
0.68 |
|
| 2019 |
Kuenze G, Bonneau R, Leman JK, Meiler J. Integrative Protein Modeling in RosettaNMR from Sparse Paramagnetic Restraints. Structure (London, England : 1993). PMID 31522945 DOI: 10.1016/j.str.2019.08.012 |
0.44 |
|
| 2019 |
Kuenze G, Duran AM, Woods H, Brewer KR, McDonald EF, Vanoye CG, George AL, Sanders CR, Meiler J. Upgraded molecular models of the human KCNQ1 potassium channel. Plos One. 14: e0220415. PMID 31518351 DOI: 10.1371/journal.pone.0220415 |
0.44 |
|
| 2019 |
Kuenze G, Meiler J. Protein structure prediction using sparse NOE and RDC restraints with Rosetta in CASP13. Proteins. PMID 31292988 DOI: 10.1002/prot.25769 |
0.44 |
|
| 2019 |
Xia Y, Ledwitch K, Kuenze G, Duran A, Li J, Sanders CR, Manning C, Meiler J. A unified structural model of the mammalian translocator protein (TSPO). Journal of Biomolecular Nmr. PMID 31243635 DOI: 10.1007/s10858-019-00257-1 |
0.44 |
|
| 2019 |
Brown B, Mendenhall JL, Meiler J. BCL::MolAlign: Three-Dimensional Small Molecule Alignment for Pharmacophore Mapping. Journal of Chemical Information and Modeling. PMID 30707580 DOI: 10.1021/acs.jcim.9b00020 |
0.36 |
|
| 2018 |
Kratochvil I, Hofmann T, Rother S, Schlichting R, Moretti R, Scharnweber D, Hintze V, Escher BI, Meiler J, Kalkhof S, von Bergen M. MEHP and MEOHP but not DEHP bind productively to the peroxisome proliferator-activated receptor γ. Rapid Communications in Mass Spectrometry : Rcm. PMID 30085373 DOI: 10.1002/rcm.8258 |
0.68 |
|
| 2018 |
Bhate MP, Lemmin T, Kuenze G, Mensa B, Ganguly S, Peters J, Schmidt N, Pelton JG, Gross C, Meiler J, DeGrado WF. Structure and function of the transmembrane domain of NsaS, an antibiotic sensing histidine kinase in S. aureus. Journal of the American Chemical Society. PMID 29771498 DOI: 10.1021/jacs.7b09670 |
0.44 |
|
| 2018 |
Huang H, Kuenze G, Smith JA, Taylor KC, Duran AM, Hadziselimovic A, Meiler J, Vanoye CG, George AL, Sanders CR. Mechanisms of KCNQ1 channel dysfunction in long QT syndrome involving voltage sensor domain mutations. Science Advances. 4: eaar2631. PMID 29532034 DOI: 10.1126/sciadv.aar2631 |
0.44 |
|
| 2018 |
Xia Y, Fischer AW, Teixeira P, Weiner B, Meiler J. Integrated Structural Biology for α-Helical Membrane Protein Structure Determination. Structure (London, England : 1993). PMID 29526436 DOI: 10.1016/j.str.2018.02.006 |
0.36 |
|
| 2018 |
Joedicke L, Mao J, Kuenze G, Reinhart C, Kalavacherla T, Jonker HRA, Richter C, Schwalbe H, Meiler J, Preu J, Michel H, Glaubitz C. The molecular basis of subtype selectivity of human kinin G-protein-coupled receptors. Nature Chemical Biology. PMID 29334381 DOI: 10.1038/nchembio.2551 |
0.44 |
|
| 2018 |
Tessmer MH, Anderson DM, Pickrum AM, Riegert MO, Moretti R, Meiler J, Feix JB, Frank DW. Identification of a ubiquitin-binding interface using Rosetta and DEER. Proceedings of the National Academy of Sciences of the United States of America. PMID 29295930 DOI: 10.1073/pnas.1716861115 |
0.68 |
|
| 2017 |
Li B, Mendenhall JL, Kroncke BM, Taylor KC, Huang H, Smith DK, Vanoye CG, Blume JD, George AL, Sanders CR, Meiler J. Predicting the Functional Impact of KCNQ1 Variants of Unknown Significance. Circulation. Cardiovascular Genetics. 10. PMID 29021305 DOI: 10.1161/CIRCGENETICS.117.001754 |
0.36 |
|
| 2017 |
Li B, Fooksa M, Heinze S, Meiler J. Finding the needle in the haystack: towards solving the protein-folding problem computationally. Critical Reviews in Biochemistry and Molecular Biology. 1-28. PMID 28976219 DOI: 10.1080/10409238.2017.1380596 |
0.36 |
|
| 2017 |
Moretti R, Lyskov S, Das R, Meiler J, Gray JJ. Web-accessible molecular modeling with Rosetta: The Rosetta Online Server That Includes Everyone (ROSIE). Protein Science : a Publication of the Protein Society. PMID 28960691 DOI: 10.1002/pro.3313 |
1 |
|
| 2017 |
Teixeira PL, Mendenhall JL, Heinze S, Weiner B, Skwark MJ, Meiler J. Membrane protein contact and structure prediction using co-evolution in conjunction with machine learning. Plos One. 12: e0177866. PMID 28542325 DOI: 10.1371/journal.pone.0177866 |
0.36 |
|
| 2017 |
Li B, Mendenhall J, Nguyen ED, Weiner BE, Fischer AW, Meiler J. Improving Prediction of Helix-Helix Packing in Membrane Proteins Using Predicted Contact Numbers as Restraints. Proteins. PMID 28263405 DOI: 10.1002/prot.25281 |
0.4 |
|
| 2016 |
Kölbel K, Warnke S, Seo J, von Helden G, Moretti R, Meiler J, Pagel K, Sinz A. Conformational Shift of a β-Hairpin Peptide upon Complex Formation with an Oligo-proline Peptide Studied by Mass Spectrometry. Chemistryselect. 1: 3651-3656. PMID 30547079 DOI: 10.1002/slct.201600934 |
0.68 |
|
| 2016 |
Borza CM, Su Y, Tran TL, Yu L, Steyns N, Temple KJ, Skwark MJ, Meiler J, Lindsley CW, Hicks BR, Leitinger B, Zent R, Pozzi A. Discoidin domain receptor 1 kinase activity is required for regulating collagen IV synthesis. Matrix Biology : Journal of the International Society For Matrix Biology. PMID 27915093 DOI: 10.1016/j.matbio.2016.11.009 |
0.36 |
|
| 2016 |
Kroncke BM, Duran AM, Mendenhall JL, Meiler J, Blume JD, Sanders CR. Documentation of an Imperative to Improve Methods for Predicting Membrane Protein Stability. Biochemistry. PMID 27564391 DOI: 10.1021/acs.biochem.6b00537 |
1 |
|
| 2016 |
Geanes AR, Cho HP, Nance KD, McGowan KM, Conn PJ, Jones CK, Meiler J, Lindsley CW. Ligand-based virtual screen for the discovery of novel M5 inhibitor chemotypes. Bioorganic & Medicinal Chemistry Letters. PMID 27503678 DOI: 10.1016/j.bmcl.2016.07.071 |
1 |
|
| 2016 |
Bender BJ, Cisneros A, Duran AM, Finn JA, Fu D, Lokits AD, Mueller BK, Sangha AK, Sauer MF, Sevy AM, Sliwoski G, Sheehan JH, DiMaio F, Meiler J, Moretti R. Protocols for Molecular Modeling with Rosetta3 and RosettaScripts. Biochemistry. PMID 27490953 DOI: 10.1021/acs.biochem.6b00444 |
0.68 |
|
| 2016 |
Nnamani MC, Ganguly S, Erkenbrack EM, Lynch VJ, Mizoue LS, Tong Y, Darling HL, Fuxreiter M, Meiler J, Wagner GP. A Derived Allosteric Switch Underlies the Evolution of Conditional Cooperativity between HOXA11 and FOXO1. Cell Reports. PMID 27239043 DOI: 10.1016/j.celrep.2016.04.088 |
1 |
|
| 2016 |
Finn JA, Koehler Leman J, Willis JR, Cisneros A, Crowe JE, Meiler J. Improving Loop Modeling of the Antibody Complementarity-Determining Region 3 Using Knowledge-Based Restraints. Plos One. 11: e0154811. PMID 27182833 DOI: 10.1371/journal.pone.0154811 |
1 |
|
| 2016 |
Schaarschmidt J, Nagel MB, Huth S, Jaeschke H, Moretti R, Hintze V, von Bergen M, Kalkhof S, Meiler J, Paschke R. Rearrangement of the extracellular domain/extracellular loop 1 interface is critical for thyrotropin receptor activation. The Journal of Biological Chemistry. PMID 27129207 DOI: 10.1074/jbc.M115.709659 |
0.68 |
|
| 2016 |
Moretti R, Bender BJ, Allison B, Meiler J. Rosetta and the Design of Ligand Binding Sites. Methods in Molecular Biology (Clifton, N.J.). 1414: 47-62. PMID 27094285 DOI: 10.1007/978-1-4939-3569-7_4 |
0.68 |
|
| 2016 |
Fischer AW, Heinze S, Putnam DK, Li B, Pino JC, Xia Y, Lopez CF, Meiler J. CASP11 - An Evaluation of a Modular BCL::Fold-Based Protein Structure Prediction Pipeline. Plos One. 11: e0152517. PMID 27046050 DOI: 10.1371/journal.pone.0152517 |
0.36 |
|
| 2016 |
Willis JR, Finn JA, Briney B, Sapparapu G, Singh V, King H, LaBranche CC, Montefiori DC, Meiler J, Crowe JE. Long antibody HCDR3s from HIV-naïve donors presented on a PG9 neutralizing antibody background mediate HIV neutralization. Proceedings of the National Academy of Sciences of the United States of America. PMID 27044078 DOI: 10.1073/pnas.1518405113 |
1 |
|
| 2016 |
Gajewski S, Waddell MB, Vaithiyalingam S, Nourse A, Li Z, Woetzel N, Alexander N, Meiler J, White SW. Structure and mechanism of the phage T4 recombination mediator protein UvsY. Proceedings of the National Academy of Sciences of the United States of America. PMID 26951671 DOI: 10.1073/pnas.1519154113 |
0.48 |
|
| 2016 |
Li B, Mendenhall J, Nguyen DE, Weiner BE, Fischer AW, Meiler J. Accurate Prediction of Contact Numbers for Multi-Spanning Helical Membrane Proteins. Journal of Chemical Information and Modeling. PMID 26804342 DOI: 10.1021/acs.jcim.5b00517 |
1 |
|
| 2015 |
Krug U, Alexander NS, Stein RA, Keim A, Mchaourab HS, Sträter N, Meiler J. Characterization of the Domain Orientations of E. coli 5'-Nucleotidase by Fitting an Ensemble of Conformers to DEER Distance Distributions. Structure (London, England : 1993). PMID 26724996 DOI: 10.1016/j.str.2015.11.007 |
1 |
|
| 2015 |
Sliwoski G, Mendenhall J, Meiler J. Autocorrelation descriptor improvements for QSAR: 2DA_Sign and 3DA_Sign. Journal of Computer-Aided Molecular Design. PMID 26721261 DOI: 10.1007/s10822-015-9893-9 |
1 |
|
| 2015 |
Kothiwale S, Mendenhall JL, Meiler J. BCL::Conf: small molecule conformational sampling using a knowledge based rotamer library. Journal of Cheminformatics. 7: 47. PMID 26473018 DOI: 10.1186/s13321-015-0095-1 |
1 |
|
| 2015 |
DeLuca S, Khar K, Meiler J. Fully Flexible Docking of Medium Sized Ligand Libraries with RosettaLigand. Plos One. 10: e0132508. PMID 26207742 DOI: 10.1371/journal.pone.0132508 |
1 |
|
| 2015 |
Sevy AM, Jacobs TM, Crowe JE, Meiler J. Design of Protein Multi-specificity Using an Independent Sequence Search Reduces the Barrier to Low Energy Sequences. Plos Computational Biology. 11: e1004300. PMID 26147100 DOI: 10.1371/journal.pcbi.1004300 |
1 |
|
| 2015 |
Sali A, Berman HM, Schwede T, Trewhella J, Kleywegt G, Burley SK, Markley J, Nakamura H, Adams P, Bonvin AM, Chiu W, Peraro MD, Di Maio F, Ferrin TE, Grünewald K, ... ... Meiler J, et al. Outcome of the First wwPDB Hybrid/Integrative Methods Task Force Workshop. Structure (London, England : 1993). PMID 26095030 DOI: 10.1016/j.str.2015.05.013 |
1 |
|
| 2015 |
Putnam DK, Weiner BE, Woetzel N, Lowe EW, Meiler J. BCL::SAXS: GPU accelerated debye method for computation of small angle X Ray scattering profiles. Proteins. PMID 26018949 DOI: 10.1002/prot.24838 |
1 |
|
| 2015 |
Hofmann T, Fischer AW, Meiler J, Kalkhof S. Protein structure prediction guided by crosslinking restraints - A systematic evaluation of the impact of the crosslinking spacer length. Methods (San Diego, Calif.). PMID 25986934 DOI: 10.1016/j.ymeth.2015.05.014 |
1 |
|
| 2015 |
Willis JR, Sapparapu G, Murrell S, Julien JP, Singh V, King HG, Xia Y, Pickens JA, LaBranche CC, Slaughter JC, Montefiori DC, Wilson IA, Meiler J, Crowe JE. Redesigned HIV antibodies exhibit enhanced neutralizing potency and breadth. The Journal of Clinical Investigation. 125: 2523-31. PMID 25985274 DOI: 10.1172/JCI80693 |
1 |
|
| 2015 |
Kaiser A, Müller P, Zellmann T, Scheidt HA, Thomas L, Bosse M, Meier R, Meiler J, Huster D, Beck-Sickinger AG, Schmidt P. Unwinding of the C-Terminal Residues of Neuropeptide Y is critical for Y2 Receptor Binding and Activation. Angewandte Chemie (International Ed. in English). 54: 7446-9. PMID 25924821 DOI: 10.1002/anie.201411688 |
1 |
|
| 2015 |
Martin E, Knapp S, Engh RA, Moebitz H, Varin T, Roux B, Meiler J, Berdini V, Baumann A, Vieth M. Perspective on computational and structural aspects of kinase discovery from IPK2014. Biochimica Et Biophysica Acta. PMID 25861861 DOI: 10.1016/j.bbapap.2015.03.014 |
1 |
|
| 2015 |
Kroncke BM, Vanoye CG, Meiler J, George AL, Sanders CR. Personalized biochemistry and biophysics. Biochemistry. 54: 2551-9. PMID 25856502 DOI: 10.1021/acs.biochem.5b00189 |
1 |
|
| 2015 |
Fischer AW, Alexander NS, Woetzel N, Karakas M, Weiner BE, Meiler J. BCL::MP-Fold: Membrane protein structure prediction guided by EPR restraints. Proteins. PMID 25820805 DOI: 10.1002/prot.24801 |
1 |
|
| 2015 |
Vortmeier G, DeLuca SH, Els-Heindl S, Chollet C, Scheidt HA, Beck-Sickinger AG, Meiler J, Huster D. Integrating solid-state NMR and computational modeling to investigate the structure and dynamics of membrane-associated ghrelin. Plos One. 10: e0122444. PMID 25803439 DOI: 10.1371/journal.pone.0122444 |
1 |
|
| 2015 |
Swale DR, Sheehan JH, Banerjee S, Husni AS, Nguyen TT, Meiler J, Denton JS. Computational and functional analyses of a small-molecule binding site in ROMK. Biophysical Journal. 108: 1094-103. PMID 25762321 DOI: 10.1016/j.bpj.2015.01.022 |
1 |
|
| 2015 |
Heinze S, Putnam DK, Fischer AW, Kohlmann T, Weiner BE, Meiler J. CASP10-BCL::Fold efficiently samples topologies of large proteins. Proteins. 83: 547-63. PMID 25581562 DOI: 10.1002/prot.24733 |
1 |
|
| 2015 |
Donahue JP, Levinson RT, Sheehan JH, Sutton L, Taylor HE, Meiler J, D'Aquila RT, Song C. Genetic analysis of the localization of APOBEC3F to human immunodeficiency virus type 1 virion cores. Journal of Virology. 89: 2415-24. PMID 25505075 DOI: 10.1128/JVI.01981-14 |
1 |
|
| 2015 |
Kothiwale S, Borza CM, Lowe EW, Pozzi A, Meiler J. Discoidin domain receptor 1 (DDR1) kinase as target for structure-based drug discovery. Drug Discovery Today. 20: 255-61. PMID 25284748 DOI: 10.1016/j.drudis.2014.09.025 |
1 |
|
| 2014 |
Lössl P, Kölbel K, Tänzler D, Nannemann D, Ihling CH, Keller MV, Schneider M, Zaucke F, Meiler J, Sinz A. Analysis of nidogen-1/laminin γ1 interaction by cross-linking, mass spectrometry, and computational modeling reveals multiple binding modes. Plos One. 9: e112886. PMID 25387007 DOI: 10.1371/journal.pone.0112886 |
1 |
|
| 2014 |
Mittendorf KF, Kroncke BM, Meiler J, Sanders CR. The homology model of PMP22 suggests mutations resulting in peripheral neuropathy disrupt transmembrane helix packing. Biochemistry. 53: 6139-41. PMID 25243937 DOI: 10.1021/bi500809t |
1 |
|
| 2014 |
Conn PJ, Lindsley CW, Meiler J, Niswender CM. Opportunities and challenges in the discovery of allosteric modulators of GPCRs for treating CNS disorders. Nature Reviews. Drug Discovery. 13: 692-708. PMID 25176435 DOI: 10.1038/nrd4308 |
1 |
|
| 2014 |
Mäde V, Bellmann-Sickert K, Kaiser A, Meiler J, Beck-Sickinger AG. Position and length of fatty acids strongly affect receptor selectivity pattern of human pancreatic polypeptide analogues. Chemmedchem. 9: 2463-74. PMID 25156249 DOI: 10.1002/cmdc.201402235 |
1 |
|
| 2014 |
Margeti? A, Nannemann D, Meiler J, Huster D, Theisgen S. Guanylate Cyclase-Activating Protein-2 Undergoes Structural Changes upon Binding to Detergent Micelles and Bicelles. Biochimica Et Biophysica Acta. 1838: 2767-77. PMID 25051529 DOI: 10.1016/j.bbamem.2014.07.012 |
1 |
|
| 2014 |
Kaya AI, Lokits AD, Gilbert JA, Iverson TM, Meiler J, Hamm HE. A conserved phenylalanine as a relay between the α5 helix and the GDP binding region of heterotrimeric Gi protein α subunit. The Journal of Biological Chemistry. 289: 24475-87. PMID 25037222 DOI: 10.1074/jbc.M114.572875 |
1 |
|
| 2014 |
Jaeschke H, Schaarschmidt J, Eszlinger M, Huth S, Puttinger R, Rittinger O, Meiler J, Paschke R. A newly discovered TSHR variant (L665F) associated with nonautoimmune hyperthyroidism in an Austrian family induces constitutive TSHR activation by steric repulsion between TM1 and TM7. The Journal of Clinical Endocrinology and Metabolism. 99: E2051-9. PMID 24947036 DOI: 10.1210/jc.2014-1436 |
1 |
|
| 2014 |
Doberenz C, Zorn M, Falke D, Nannemann D, Hunger D, Beyer L, Ihling CH, Meiler J, Sinz A, Sawers RG. Pyruvate formate-lyase interacts directly with the formate channel FocA to regulate formate translocation. Journal of Molecular Biology. 426: 2827-39. PMID 24887098 DOI: 10.1016/j.jmb.2014.05.023 |
1 |
|
| 2014 |
Austin TM, Nannemann DP, Deluca SL, Meiler J, Delpire E. In silico analysis and experimental verification of OSR1 kinase - Peptide interaction. Journal of Structural Biology. 187: 58-65. PMID 24821279 DOI: 10.1016/j.jsb.2014.05.001 |
1 |
|
| 2014 |
Wu H, Wang C, Gregory KJ, Han GW, Cho HP, Xia Y, Niswender CM, Katritch V, Meiler J, Cherezov V, Conn PJ, Stevens RC. Structure of a class C GPCR metabotropic glutamate receptor 1 bound to an allosteric modulator. Science (New York, N.Y.). 344: 58-64. PMID 24603153 DOI: 10.1126/science.1249489 |
1 |
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| 2014 |
Gregory KJ, Nguyen ED, Malosh C, Mendenhall JL, Zic JZ, Bates BS, Noetzel MJ, Squire EF, Turner EM, Rook JM, Emmitte KA, Stauffer SR, Lindsley CW, Meiler J, Conn PJ. Identification of specific ligand-receptor interactions that govern binding and cooperativity of diverse modulators to a common metabotropic glutamate receptor 5 allosteric site. Acs Chemical Neuroscience. 5: 282-95. PMID 24528109 DOI: 10.1021/cn400225x |
1 |
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| 2014 |
Sliwoski G, Kothiwale S, Meiler J, Lowe EW. Computational methods in drug discovery. Pharmacological Reviews. 66: 334-95. PMID 24381236 DOI: 10.1124/pr.112.007336 |
1 |
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| 2014 |
Pedragosa-Badia X, Sliwoski GR, Dong Nguyen E, Lindner D, Stichel J, Kaufmann KW, Meiler J, Beck-Sickinger AG. Pancreatic polypeptide is recognized by two hydrophobic domains of the human Y4 receptor binding pocket. The Journal of Biological Chemistry. 289: 5846-59. PMID 24375409 DOI: 10.1074/jbc.M113.502021 |
1 |
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| 2014 |
Alexander NS, Preininger AM, Kaya AI, Stein RA, Hamm HE, Meiler J. Energetic analysis of the rhodopsin-G-protein complex links the α5 helix to GDP release. Nature Structural & Molecular Biology. 21: 56-63. PMID 24292645 DOI: 10.1038/nsmb.2705 |
1 |
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| 2014 |
Weiner BE, Alexander N, Akin LR, Woetzel N, Karakas M, Meiler J. BCL::Fold--protein topology determination from limited NMR restraints. Proteins. 82: 587-95. PMID 24123100 DOI: 10.1002/prot.24427 |
1 |
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| 2014 |
Allison B, Combs S, DeLuca S, Lemmon G, Mizoue L, Meiler J. Computational design of protein-small molecule interfaces. Journal of Structural Biology. 185: 193-202. PMID 23962892 DOI: 10.1016/j.jsb.2013.08.003 |
1 |
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| 2013 |
Putnam DK, Lowe EW, Meiler J. Reconstruction of SAXS Profiles from Protein Structures. Computational and Structural Biotechnology Journal. 8: e201308006. PMID 24688746 DOI: 10.5936/csbj.201308006 |
1 |
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| 2013 |
Duran AM, Meiler J. Inverted topologies in membrane proteins: a mini-review. Computational and Structural Biotechnology Journal. 8: e201308004. PMID 24688744 DOI: 10.5936/csbj.201308004 |
1 |
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| 2013 |
Crivelli JJ, Lemmon G, Kaufmann KW, Meiler J. Simultaneous prediction of binding free energy and specificity for PDZ domain-peptide interactions. Journal of Computer-Aided Molecular Design. 27: 1051-65. PMID 24305904 DOI: 10.1007/s10822-013-9696-9 |
1 |
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| 2013 |
Turlington M, Noetzel MJ, Chun A, Zhou Y, Gogliotti RD, Nguyen ED, Gregory KJ, Vinson PN, Rook JM, Gogi KK, Xiang Z, Bridges TM, Daniels JS, Jones C, Niswender CM, ... Meiler J, et al. Exploration of allosteric agonism structure-activity relationships within an acetylene series of metabotropic glutamate receptor 5 (mGlu5) positive allosteric modulators (PAMs): discovery of 5-((3-fluorophenyl)ethynyl)-N-(3-methyloxetan-3-yl)picolinamide (ML254). Journal of Medicinal Chemistry. 56: 7976-96. PMID 24050755 DOI: 10.1021/jm401028t |
1 |
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| 2013 |
Alexander NS, Stein RA, Koteiche HA, Kaufmann KW, McHaourab HS, Meiler J. RosettaEPR: rotamer library for spin label structure and dynamics. Plos One. 8: e72851. PMID 24039810 DOI: 10.1371/journal.pone.0072851 |
1 |
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| 2013 |
Thornburg NJ, Nannemann DP, Blum DL, Belser JA, Tumpey TM, Deshpande S, Fritz GA, Sapparapu G, Krause JC, Lee JH, Ward AB, Lee DE, Li S, Winarski KL, Spiller BW, ... Meiler J, et al. Human antibodies that neutralize respiratory droplet transmissible H5N1 influenza viruses. The Journal of Clinical Investigation. 123: 4405-9. PMID 23999429 DOI: 10.1172/JCI69377 |
1 |
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| 2013 |
Figueroa M, Oliveira N, Lejeune A, Kaufmann KW, Dorr BM, Matagne A, Martial JA, Meiler J, Van de Weerdt C. Octarellin VI: using rosetta to design a putative artificial (β/α)8 protein. Plos One. 8: e71858. PMID 23977165 DOI: 10.1371/journal.pone.0071858 |
1 |
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| 2013 |
Lindert S, Meiler J, McCammon JA. Iterative Molecular Dynamics-Rosetta Protein Structure Refinement Protocol to Improve Model Quality. Journal of Chemical Theory and Computation. 9: 3843-3847. PMID 23956701 DOI: 10.1021/ct400260c |
0.64 |
|
| 2013 |
Li F, Xia Y, Meiler J, Ferguson-Miller S. Characterization and modeling of the oligomeric state and ligand binding behavior of purified translocator protein 18 kDa from Rhodobacter sphaeroides. Biochemistry. 52: 5884-99. PMID 23952237 DOI: 10.1021/bi400431t |
1 |
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| 2013 |
Wiesweg M, Ting S, Reis H, Worm K, Kasper S, Tewes M, Welt A, Richly H, Meiler J, Bauer S, Hense J, Gauler TC, Köhler J, Eberhardt WE, Darwiche K, et al. Feasibility of preemptive biomarker profiling for personalised early clinical drug development at a Comprehensive Cancer Center. European Journal of Cancer (Oxford, England : 1990). 49: 3076-82. PMID 23876834 DOI: 10.1016/j.ejca.2013.06.014 |
1 |
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| 2013 |
Nguyen ED, Norn C, Frimurer TM, Meiler J. Assessment and challenges of ligand docking into comparative models of G-protein coupled receptors. Plos One. 8: e67302. PMID 23844000 DOI: 10.1371/journal.pone.0067302 |
1 |
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| 2013 |
Lemmon G, Meiler J. Towards ligand docking including explicit interface water molecules. Plos One. 8: e67536. PMID 23840735 DOI: 10.1371/journal.pone.0067536 |
1 |
|
| 2013 |
Combs SA, Deluca SL, Deluca SH, Lemmon GH, Nannemann DP, Nguyen ED, Willis JR, Sheehan JH, Meiler J. Small-molecule ligand docking into comparative models with Rosetta. Nature Protocols. 8: 1277-98. PMID 23744289 DOI: 10.1038/nprot.2013.074 |
1 |
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| 2013 |
Weiner BE, Woetzel N, Karaka? M, Alexander N, Meiler J. BCL::MP-fold: folding membrane proteins through assembly of transmembrane helices. Structure (London, England : 1993). 21: 1107-17. PMID 23727232 DOI: 10.1016/j.str.2013.04.022 |
1 |
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| 2013 |
Aiyegbo MS, Sapparapu G, Spiller BW, Eli IM, Williams DR, Kim R, Lee DE, Liu T, Li S, Woods VL, Nannemann DP, Meiler J, Stewart PL, Crowe JE. Human rotavirus VP6-specific antibodies mediate intracellular neutralization by binding to a quaternary structure in the transcriptional pore. Plos One. 8: e61101. PMID 23671563 DOI: 10.1371/journal.pone.0061101 |
1 |
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| 2013 |
Willis JR, Briney BS, DeLuca SL, Crowe JE, Meiler J. Human germline antibody gene segments encode polyspecific antibodies. Plos Computational Biology. 9: e1003045. PMID 23637590 DOI: 10.1371/journal.pcbi.1003045 |
1 |
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| 2013 |
Preininger AM, Meiler J, Hamm HE. Conformational flexibility and structural dynamics in GPCR-mediated G protein activation: a perspective. Journal of Molecular Biology. 425: 2288-98. PMID 23602809 DOI: 10.1016/j.jmb.2013.04.011 |
1 |
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| 2013 |
Gregory KJ, Nguyen ED, Reiff SD, Squire EF, Stauffer SR, Lindsley CW, Meiler J, Conn PJ. Probing the metabotropic glutamate receptor 5 (mGlu₅) positive allosteric modulator (PAM) binding pocket: discovery of point mutations that engender a "molecular switch" in PAM pharmacology. Molecular Pharmacology. 83: 991-1006. PMID 23444015 DOI: 10.1124/mol.112.083949 |
1 |
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| 2013 |
Deluca SH, Rathmann D, Beck-Sickinger AG, Meiler J. The activity of prolactin releasing peptide correlates with its helicity. Biopolymers. 99: 314-25. PMID 23426574 DOI: 10.1002/bip.22162 |
1 |
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| 2013 |
Leman JK, Mueller R, Karakas M, Woetzel N, Meiler J. Simultaneous prediction of protein secondary structure and transmembrane spans. Proteins. 81: 1127-40. PMID 23349002 DOI: 10.1002/prot.24258 |
1 |
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| 2013 |
Butkiewicz M, Lowe EW, Mueller R, Mendenhall JL, Teixeira PL, Weaver CD, Meiler J. Benchmarking ligand-based virtual High-Throughput Screening with the PubChem database. Molecules (Basel, Switzerland). 18: 735-56. PMID 23299552 DOI: 10.3390/molecules18010735 |
1 |
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| 2013 |
Lindert S, Stewart PL, Meiler J. Computational determination of the orientation of a heat repeat-like domain of DNA-PKcs. Computational Biology and Chemistry. 42: 1-4. PMID 23246775 DOI: 10.1016/j.compbiolchem.2012.11.001 |
1 |
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| 2013 |
Yang T, Smith JA, Leake BF, Sanders CR, Meiler J, Roden DM. An allosteric mechanism for drug block of the human cardiac potassium channel KCNQ1. Molecular Pharmacology. 83: 481-9. PMID 23193163 DOI: 10.1124/mol.112.081513 |
1 |
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| 2013 |
Schmidt P, Ritscher L, Dong EN, Hermsdorf T, Cöster M, Wittkopf D, Meiler J, Schöneberg T. Identification of determinants required for agonistic and inverse agonistic ligand properties at the ADP receptor P2Y12. Molecular Pharmacology. 83: 256-66. PMID 23093496 DOI: 10.1124/mol.112.082198 |
1 |
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| 2012 |
Kaufmann KW, Meiler J. Using RosettaLigand for small molecule docking into comparative models. Plos One. 7: e50769. PMID 23239984 DOI: 10.1371/journal.pone.0050769 |
1 |
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| 2012 |
Woetzel N, Karaka? M, Staritzbichler R, Müller R, Weiner BE, Meiler J. BCL::Score--knowledge based energy potentials for ranking protein models represented by idealized secondary structure elements. Plos One. 7: e49242. PMID 23173051 DOI: 10.1371/journal.pone.0049242 |
1 |
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| 2012 |
Karaka? M, Woetzel N, Staritzbichler R, Alexander N, Weiner BE, Meiler J. BCL::Fold--de novo prediction of complex and large protein topologies by assembly of secondary structure elements. Plos One. 7: e49240. PMID 23173050 DOI: 10.1371/journal.pone.0049240 |
1 |
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| 2012 |
Kim M, Vishnivetskiy SA, Van Eps N, Alexander NS, Cleghorn WM, Zhan X, Hanson SM, Morizumi T, Ernst OP, Meiler J, Gurevich VV, Hubbell WL. Conformation of receptor-bound visual arrestin. Proceedings of the National Academy of Sciences of the United States of America. 109: 18407-12. PMID 23091036 DOI: 10.1073/pnas.1216304109 |
1 |
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| 2012 |
Sliwoski G, Lowe EW, Butkiewicz M, Meiler J. BCL::EMAS--enantioselective molecular asymmetry descriptor for 3D-QSAR. Molecules (Basel, Switzerland). 17: 9971-89. PMID 22907158 DOI: 10.3390/molecules17089971 |
1 |
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| 2012 |
Findeisen M, Würker C, Rathmann D, Meier R, Meiler J, Olsson R, Beck-Sickinger AG. Selective mode of action of guanidine-containing non-peptides at human NPFF receptors. Journal of Medicinal Chemistry. 55: 6124-36. PMID 22708927 DOI: 10.1021/jm300535s |
1 |
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| 2012 |
Mueller R, Dawson ES, Niswender CM, Butkiewicz M, Hopkins CR, Weaver CD, Lindsley CW, Conn PJ, Meiler J. Iterative experimental and virtual high-throughput screening identifies metabotropic glutamate receptor subtype 4 positive allosteric modulators. Journal of Molecular Modeling. 18: 4437-46. PMID 22592386 DOI: 10.1007/s00894-012-1441-0 |
1 |
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| 2012 |
Yang R, Shi J, Byeon IJ, Ahn J, Sheehan JH, Meiler J, Gronenborn AM, Aiken C. Second-site suppressors of HIV-1 capsid mutations: restoration of intracellular activities without correction of intrinsic capsid stability defects. Retrovirology. 9: 30. PMID 22515365 DOI: 10.1186/1742-4690-9-30 |
1 |
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| 2012 |
Meiler J, Guyot M, Hoffarth S, Wesarg E, Höhn Y, Breitenbuecher F, Schuler M. Individual dose and scheduling determine the efficacy of combining cytotoxic anticancer agents with a kinase inhibitor in non-small-cell lung cancer. Journal of Cancer Research and Clinical Oncology. 138: 1385-94. PMID 22488173 DOI: 10.1007/s00432-012-1220-4 |
1 |
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| 2012 |
Lindert S, Alexander N, Wötzel N, Karaka? M, Stewart PL, Meiler J. EM-fold: de novo atomic-detail protein structure determination from medium-resolution density maps. Structure (London, England : 1993). 20: 464-78. PMID 22405005 DOI: 10.1016/j.str.2012.01.023 |
1 |
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| 2012 |
Eisenbeis S, Proffitt W, Coles M, Truffault V, Shanmugaratnam S, Meiler J, Höcker B. Potential of fragment recombination for rational design of proteins. Journal of the American Chemical Society. 134: 4019-22. PMID 22329686 DOI: 10.1021/ja211657k |
1 |
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| 2012 |
Lemmon G, Kaufmann K, Meiler J. Prediction of HIV-1 protease/inhibitor affinity using RosettaLigand. Chemical Biology & Drug Design. 79: 888-96. PMID 22321894 DOI: 10.1111/j.1747-0285.2012.01356.x |
1 |
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| 2012 |
Lindert S, Hofmann T, Wötzel N, Karaka? M, Stewart PL, Meiler J. Ab initio protein modeling into CryoEM density maps using EM-Fold. Biopolymers. 97: 669-77. PMID 22302372 DOI: 10.1002/bip.22027 |
1 |
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| 2012 |
Mueller R, Dawson ES, Meiler J, Rodriguez AL, Chauder BA, Bates BS, Felts AS, Lamb JP, Menon UN, Jadhav SB, Kane AS, Jones CK, Gregory KJ, Niswender CM, Conn PJ, et al. Discovery of 2-(2-benzoxazoyl amino)-4-aryl-5-cyanopyrimidine as negative allosteric modulators (NAMs) of metabotropic glutamate receptor 5 (mGlu₅): from an artificial neural network virtual screen to an in vivo tool compound. Chemmedchem. 7: 406-14. PMID 22267125 DOI: 10.1002/cmdc.201100510 |
1 |
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| 2012 |
Lemmon G, Meiler J. Rosetta Ligand docking with flexible XML protocols. Methods in Molecular Biology (Clifton, N.J.). 819: 143-55. PMID 22183535 DOI: 10.1007/978-1-61779-465-0_10 |
1 |
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| 2012 |
Butkiewicz M, Lowe EW, Meiler J. BclChemInfo - Qualitative analysis of machine learning models for activation of HSD involved in Alzheimer's Disease 2012 Ieee Symposium On Computational Intelligence and Computational Biology, Cibcb 2012. 329-334. DOI: 10.1109/CIBCB.2012.6217248 |
1 |
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| 2012 |
Lowe EW, Butkiewicz M, Woetzel N, Meiler J. GPU-accelerated machine learning techniques enable QSAR modeling of large HTS data 2012 Ieee Symposium On Computational Intelligence and Computational Biology, Cibcb 2012. 314-320. DOI: 10.1109/CIBCB.2012.6217246 |
1 |
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| 2012 |
Kasper S, Meiler J, Schuler M. Antibodies for adoptive immunotherapy of solid cancers | Antikörper zur adoptiven Immuntherapie solider Tumoren Onkologe. 18: 757-769. DOI: 10.1007/s00761-012-2257-3 |
1 |
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| 2012 |
Lowe EW, Butkiewicz M, White Z, Spellings M, Omlor A, Meiler J. Comparative analysis of machine learning techniques for the prediction of the DMPK parameters intrinsic clearance and plasma protein binding 4th International Conference On Bioinformatics and Computational Biology 2012, Bicob 2012. 25-30. |
1 |
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| 2011 |
Combs S, Kaufmann K, Field JR, Blakely RD, Meiler J. Y95 and E444 interaction required for high-affinity S-citalopram binding in the human serotonin transporter. Acs Chemical Neuroscience. 2: 75-81. PMID 22778858 DOI: 10.1021/cn100066p |
1 |
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| 2011 |
Olmsted IR, Xiao Y, Cho M, Csordas AT, Sheehan JH, Meiler J, Soh HT, Bornhop DJ. Measurement of aptamer-protein interactions with back-scattering interferometry. Analytical Chemistry. 83: 8867-70. PMID 22032342 DOI: 10.1021/ac202823m |
1 |
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| 2011 |
Koehler J, Meiler J. Expanding the utility of NMR restraints with paramagnetic compounds: background and practical aspects. Progress in Nuclear Magnetic Resonance Spectroscopy. 59: 360-89. PMID 22027343 DOI: 10.1016/j.pnmrs.2011.05.001 |
1 |
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| 2011 |
Fortenberry C, Bowman EA, Proffitt W, Dorr B, Combs S, Harp J, Mizoue L, Meiler J. Exploring symmetry as an avenue to the computational design of large protein domains. Journal of the American Chemical Society. 133: 18026-9. PMID 21978247 DOI: 10.1021/ja2051217 |
1 |
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| 2011 |
DeLuca S, Dorr B, Meiler J. Design of native-like proteins through an exposure-dependent environment potential. Biochemistry. 50: 8521-8. PMID 21905701 DOI: 10.1021/bi200664b |
1 |
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| 2011 |
Fleishman SJ, Leaver-Fay A, Corn JE, Strauch EM, Khare SD, Koga N, Ashworth J, Murphy P, Richter F, Lemmon G, Meiler J, Baker D. RosettaScripts: a scripting language interface to the Rosetta macromolecular modeling suite. Plos One. 6: e20161. PMID 21731610 DOI: 10.1371/journal.pone.0020161 |
1 |
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| 2011 |
Henry LK, Iwamoto H, Field JR, Kaufmann K, Dawson ES, Jacobs MT, Adams C, Felts B, Zdravkovic I, Armstrong V, Combs S, Solis E, Rudnick G, Noskov SY, DeFelice LJ, ... Meiler J, et al. A conserved asparagine residue in transmembrane segment 1 (TM1) of serotonin transporter dictates chloride-coupled neurotransmitter transport. The Journal of Biological Chemistry. 286: 30823-36. PMID 21730057 DOI: 10.1074/jbc.M111.250308 |
1 |
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| 2011 |
Van Eps N, Preininger AM, Alexander N, Kaya AI, Meier S, Meiler J, Hamm HE, Hubbell WL. Interaction of a G protein with an activated receptor opens the interdomain interface in the alpha subunit. Proceedings of the National Academy of Sciences of the United States of America. 108: 9420-4. PMID 21606326 DOI: 10.1073/pnas.1105810108 |
1 |
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| 2011 |
Woetzel N, Lindert S, Stewart PL, Meiler J. BCL::EM-Fit: rigid body fitting of atomic structures into density maps using geometric hashing and real space refinement. Journal of Structural Biology. 175: 264-76. PMID 21565271 DOI: 10.1016/j.jsb.2011.04.016 |
1 |
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| 2011 |
Ganguly S, Weiner BE, Meiler J. Membrane protein structure determination using paramagnetic tags. Structure (London, England : 1993). 19: 441-3. PMID 21481766 DOI: 10.1016/j.str.2011.03.008 |
1 |
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| 2011 |
Morin A, Kaufmann KW, Fortenberry C, Harp JM, Mizoue LS, Meiler J. Computational design of an endo-1,4-beta-xylanase ligand binding site. Protein Engineering, Design & Selection : Peds. 24: 503-16. PMID 21349882 DOI: 10.1093/protein/gzr006 |
1 |
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| 2011 |
Morin A, Meiler J, Mizoue LS. Computational design of protein-ligand interfaces: potential in therapeutic development. Trends in Biotechnology. 29: 159-66. PMID 21295366 DOI: 10.1016/j.tibtech.2011.01.002 |
1 |
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| 2011 |
Leaver-Fay A, Tyka M, Lewis SM, Lange OF, Thompson J, Jacak R, Kaufman K, Renfrew PD, Smith CA, Sheffler W, Davis IW, Cooper S, Treuille A, Mandell DJ, Richter F, ... ... Meiler J, et al. ROSETTA3: an object-oriented software suite for the simulation and design of macromolecules. Methods in Enzymology. 487: 545-74. PMID 21187238 DOI: 10.1016/B978-0-12-381270-4.00019-6 |
1 |
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| 2011 |
Kazmier K, Alexander NS, Meiler J, McHaourab HS. Algorithm for selection of optimized EPR distance restraints for de novo protein structure determination. Journal of Structural Biology. 173: 549-57. PMID 21074624 DOI: 10.1016/j.jsb.2010.11.003 |
1 |
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| 2011 |
Hirst SJ, Alexander N, McHaourab HS, Meiler J. RosettaEPR: an integrated tool for protein structure determination from sparse EPR data. Journal of Structural Biology. 173: 506-14. PMID 21029778 DOI: 10.1016/j.jsb.2010.10.013 |
1 |
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| 2011 |
Bhave G, Chauder BA, Liu W, Dawson ES, Kadakia R, Nguyen TT, Lewis LM, Meiler J, Weaver CD, Satlin LM, Lindsley CW, Denton JS. Development of a selective small-molecule inhibitor of Kir1.1, the renal outer medullary potassium channel. Molecular Pharmacology. 79: 42-50. PMID 20926757 DOI: 10.1124/mol.110.066928 |
1 |
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| 2011 |
Gregory KJ, Dong EN, Meiler J, Conn PJ. Allosteric modulation of metabotropic glutamate receptors: structural insights and therapeutic potential. Neuropharmacology. 60: 66-81. PMID 20637216 DOI: 10.1016/j.neuropharm.2010.07.007 |
1 |
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| 2011 |
Kaufmann K, Shen N, Mizoue L, Meiler J. A physical model for PDZ-domain/peptide interactions. Journal of Molecular Modeling. 17: 315-24. PMID 20461427 DOI: 10.1007/s00894-010-0725-5 |
1 |
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| 2011 |
Alexander N, Woetzel N, Meiler J. Bcl::Cluster: A method for clustering biological molecules coupled with visualization in the Pymol Molecular Graphics System 2011 Ieee 1st International Conference On Computational Advances in Bio and Medical Sciences, Iccabs 2011. 13-18. DOI: 10.1109/ICCABS.2011.5729867 |
1 |
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| 2011 |
Lowe EW, Butkiewicz M, Spellings M, Omlor A, Meiler J. Comparative analysis of machine learning techniques for the prediction of logP Ieee Ssci 2011 - Symposium Series On Computational Intelligence - Cibcb 2011: 2011 Ieee Symposium On Computational Intelligence in Bioinformatics and Computational Biology. 35-40. DOI: 10.1109/CIBCB.2011.5948478 |
1 |
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| 2011 |
Schreiber A, Meiler J. Structural forecasting: Modeling G-protein coupled receptors with ROSETTA | Modellierung G-Protein-gekoppelter Rezeptoren mit ROSETTA Biospektrum. 17: 158-161. DOI: 10.1007/s12268-011-0021-7 |
1 |
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| 2010 |
Lebois EP, Bridges TM, Lewis LM, Dawson ES, Kane AS, Xiang Z, Jadhav SB, Yin H, Kennedy JP, Meiler J, Niswender CM, Jones CK, Conn PJ, Weaver CD, Lindsley CW. Discovery and characterization of novel subtype-selective allosteric agonists for the investigation of M(1) receptor function in the central nervous system. Acs Chemical Neuroscience. 1: 104-121. PMID 21961051 DOI: 10.1021/cn900003h |
1 |
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| 2010 |
Kalkhof S, Haehn S, Paulsson M, Smyth N, Meiler J, Sinz A. Computational modeling of laminin N-terminal domains using sparse distance constraints from disulfide bonds and chemical cross-linking. Proteins. 78: 3409-27. PMID 20939100 DOI: 10.1002/prot.22848 |
1 |
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| 2010 |
Lowe EW, Ferrebee A, Rodriguez AL, Conn PJ, Meiler J. 3D-QSAR CoMFA study of benzoxazepine derivatives as mGluR5 positive allosteric modulators. Bioorganic & Medicinal Chemistry Letters. 20: 5922-4. PMID 20732812 DOI: 10.1016/j.bmcl.2010.07.061 |
1 |
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| 2010 |
Dave S, Sheehan JH, Meiler J, Strange K. Unique gating properties of C. elegans ClC anion channel splice variants are determined by altered CBS domain conformation and the R-helix linker. Channels (Austin, Tex.). 4: 289-301. PMID 20581474 |
1 |
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| 2010 |
Nannemann DP, Kaufmann KW, Meiler J, Bachmann BO. Design and directed evolution of a dideoxy purine nucleoside phosphorylase. Protein Engineering, Design & Selection : Peds. 23: 607-16. PMID 20525731 DOI: 10.1093/protein/gzq033 |
1 |
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| 2010 |
Mueller R, Rodriguez AL, Dawson ES, Butkiewicz M, Nguyen TT, Oleszkiewicz S, Bleckmann A, Weaver CD, Lindsley CW, Conn PJ, Meiler J. Identification of Metabotropic Glutamate Receptor Subtype 5 Potentiators Using Virtual High-Throughput Screening. Acs Chemical Neuroscience. 1: 288-305. PMID 20414370 DOI: 10.1021/cn9000389 |
1 |
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| 2010 |
Kaufmann KW, Lemmon GH, Deluca SL, Sheehan JH, Meiler J. Practically useful: what the Rosetta protein modeling suite can do for you. Biochemistry. 49: 2987-98. PMID 20235548 DOI: 10.1021/bi902153g |
1 |
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| 2010 |
Karaka? M, Woetzel N, Meiler J. BCL::contact-low confidence fold recognition hits boost protein contact prediction and de novo structure determination. Journal of Computational Biology : a Journal of Computational Molecular Cell Biology. 17: 153-68. PMID 19772383 DOI: 10.1089/cmb.2009.0030 |
1 |
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| 2009 |
Farès C, Lakomek NA, Walter KF, Frank BT, Meiler J, Becker S, Griesinger C. Accessing ns-micros side chain dynamics in ubiquitin with methyl RDCs. Journal of Biomolecular Nmr. 45: 23-44. PMID 19652920 DOI: 10.1007/s10858-009-9354-7 |
1 |
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| 2009 |
Lindert S, Staritzbichler R, Wötzel N, Karaka? M, Stewart PL, Meiler J. EM-fold: De novo folding of alpha-helical proteins guided by intermediate-resolution electron microscopy density maps. Structure (London, England : 1993). 17: 990-1003. PMID 19604479 DOI: 10.1016/j.str.2009.06.001 |
1 |
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| 2009 |
Friedland GD, Lakomek NA, Griesinger C, Meiler J, Kortemme T. A correspondence between solution-state dynamics of an individual protein and the sequence and conformational diversity of its family. Plos Computational Biology. 5: e1000393. PMID 19478996 DOI: 10.1371/journal.pcbi.1000393 |
1 |
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| 2009 |
Michino M, Abola E, Brooks CL, Dixon JS, Moult J, Stevens RC. Community-wide assessment of GPCR structure modelling and ligand docking: GPCR Dock 2008. Nature Reviews. Drug Discovery. 8: 455-63. PMID 19461661 DOI: 10.1038/nrd2877 |
1 |
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| 2009 |
Stepanovic SZ, Potet F, Petersen CI, Smith JA, Meiler J, Balser JR, Kupershmidt S. The evolutionarily conserved residue A653 plays a key role in HERG channel closing. The Journal of Physiology. 587: 2555-66. PMID 19406877 DOI: 10.1113/jphysiol.2008.166694 |
1 |
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| 2009 |
Lindert S, Stewart PL, Meiler J. Hybrid approaches: applying computational methods in cryo-electron microscopy. Current Opinion in Structural Biology. 19: 218-25. PMID 19339173 DOI: 10.1016/j.sbi.2009.02.010 |
1 |
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| 2009 |
Durham E, Dorr B, Woetzel N, Staritzbichler R, Meiler J. Solvent accessible surface area approximations for rapid and accurate protein structure prediction. Journal of Molecular Modeling. 15: 1093-108. PMID 19234730 DOI: 10.1007/s00894-009-0454-9 |
1 |
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| 2009 |
Fallen K, Banerjee S, Sheehan J, Addison D, Lewis LM, Meiler J, Denton JS. The Kir channel immunoglobulin domain is essential for Kir1.1 (ROMK) thermodynamic stability, trafficking and gating. Channels (Austin, Tex.). 3: 57-68. PMID 19221509 |
1 |
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| 2009 |
Koehler J, Woetzel N, Staritzbichler R, Sanders CR, Meiler J. A unified hydrophobicity scale for multispan membrane proteins. Proteins. 76: 13-29. PMID 19089980 DOI: 10.1002/prot.22315 |
1 |
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| 2009 |
Kaufmann KW, Dawson ES, Henry LK, Field JR, Blakely RD, Meiler J. Structural determinants of species-selective substrate recognition in human and Drosophila serotonin transporters revealed through computational docking studies. Proteins. 74: 630-42. PMID 18704946 DOI: 10.1002/prot.22178 |
1 |
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| 2009 |
Butkiewicz M, Mueller R, Selic D, Dawson E, Meiler J. Application of machine learning approaches on quantitative structure activity relationships 2009 Ieee Symposium On Computational Intelligence in Bioinformatics and Computational Biology, Cibcb 2009 - Proceedings. 255-262. DOI: 10.1109/CIBCB.2009.4925736 |
1 |
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| 2009 |
Koehler J, Mueller R, Meiler J. Improved prediction of trans-membrane spans in proteins using an artificial neural network 2009 Ieee Symposium On Computational Intelligence in Bioinformatics and Computational Biology, Cibcb 2009 - Proceedings. 68-74. DOI: 10.1109/CIBCB.2009.4925709 |
1 |
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| 2008 |
Lakomek NA, Lange OF, Walter KF, Farès C, Egger D, Lunkenheimer P, Meiler J, Grubmüller H, Becker S, de Groot BL, Griesinger C. Residual dipolar couplings as a tool to study molecular recognition of ubiquitin. Biochemical Society Transactions. 36: 1433-7. PMID 19021570 DOI: 10.1042/BST0361433 |
1 |
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| 2008 |
Kang C, Tian C, Sönnichsen FD, Smith JA, Meiler J, George AL, Vanoye CG, Kim HJ, Sanders CR. Structure of KCNE1 and implications for how it modulates the KCNQ1 potassium channel. Biochemistry. 47: 7999-8006. PMID 18611041 DOI: 10.1021/bi800875q |
1 |
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| 2008 |
Dong E, Smith J, Heinze S, Alexander N, Meiler J. BCL::Align-sequence alignment and fold recognition with a custom scoring function online. Gene. 422: 41-6. PMID 18601985 DOI: 10.1016/j.gene.2008.06.006 |
1 |
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| 2008 |
Lange OF, Lakomek NA, Farès C, Schröder GF, Walter KF, Becker S, Meiler J, Grubmüller H, Griesinger C, de Groot BL. Recognition dynamics up to microseconds revealed from an RDC-derived ubiquitin ensemble in solution. Science (New York, N.Y.). 320: 1471-5. PMID 18556554 DOI: 10.1126/science.1157092 |
1 |
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| 2008 |
Hanson SM, Dawson ES, Francis DJ, Van Eps N, Klug CS, Hubbell WL, Meiler J, Gurevich VV. A model for the solution structure of the rod arrestin tetramer. Structure (London, England : 1993). 16: 924-34. PMID 18547524 DOI: 10.1016/j.str.2008.03.006 |
1 |
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| 2008 |
Lakomek NA, Walter KF, Farès C, Lange OF, de Groot BL, Grubmüller H, Brüschweiler R, Munk A, Becker S, Meiler J, Griesinger C. Self-consistent residual dipolar coupling based model-free analysis for the robust determination of nanosecond to microsecond protein dynamics. Journal of Biomolecular Nmr. 41: 139-55. PMID 18523727 DOI: 10.1007/s10858-008-9244-4 |
1 |
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| 2008 |
Alexander N, Bortolus M, Al-Mestarihi A, Mchaourab H, Meiler J. De novo high-resolution protein structure determination from sparse spin-labeling EPR data. Structure (London, England : 1993). 16: 181-95. PMID 18275810 DOI: 10.1016/j.str.2007.11.015 |
1 |
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| 2008 |
Kaufmann KW, Meiler J. Small molecules as rotamers: Generation and docking in ROSETTALIGAND Proceedings of the German Conference On Bioinformatics, Gcb 2008. 148-157. |
1 |
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| 2007 |
Henry LK, Meiler J, Blakely RD. Bound to be different: neurotransmitter transporters meet their bacterial cousins. Molecular Interventions. 7: 306-9. PMID 18199851 DOI: 10.1124/mi.7.6.4 |
1 |
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| 2007 |
Smith JA, Vanoye CG, George AL, Meiler J, Sanders CR. Structural models for the KCNQ1 voltage-gated potassium channel Biochemistry. 46: 14141-14152. PMID 17999538 DOI: 10.1021/bi701597s |
1 |
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| 2007 |
Reese M, Sánchez-Pedregal VM, Kubicek K, Meiler J, Blommers MJJ, Griesinger C, Carlomagno T. Structural basis of the activity of the microtubule-stabilizing agent epothilone a studied by NMR spectroscopy in solution Angewandte Chemie - International Edition. 46: 1864-1868. PMID 17274084 DOI: 10.1002/anie.200604505 |
1 |
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| 2007 |
McKinney BA, Kallewaard NL, Crowe JE, Meiler J. Using the natural evolution of a rotavirus-specific human monoclonal antibody to predict the complex topography of a viral antigenic site Immunome Research. 3. DOI: 10.1186/1745-7580-3-8 |
1 |
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| 2006 |
Zanghellini A, Jiang L, Wollacott AM, Cheng G, Meiler J, Althoff EA, Röthlisberger D, Baker D. New algorithms and an in silico benchmark for computational enzyme design. Protein Science : a Publication of the Protein Society. 15: 2785-94. PMID 17132862 DOI: 10.1110/ps.062353106 |
1 |
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| 2006 |
Meiler J, Schuler M. Therapeutic targeting of apoptotic pathways in cancer Current Drug Targets. 7: 1361-1369. PMID 17073598 DOI: 10.2174/138945006778559175 |
1 |
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| 2006 |
Sánchez-Pedregal VM, Kubicek K, Meiler J, Lyothier I, Paterson I, Carlomagno T. The tubulin-bound conformation of discodermolide derived by NMR studies in solution supports a common pharmacophore model for epothilone and discodermolide Angewandte Chemie - International Edition. 45: 7388-7394. PMID 17036370 DOI: 10.1002/anie.200602793 |
1 |
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| 2006 |
Meiler J, Baker D. ROSETTALIGAND: protein-small molecule docking with full side-chain flexibility. Proteins. 65: 538-48. PMID 16972285 DOI: 10.1002/prot.21086 |
1 |
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| 2006 |
Lakomek NA, Carlomagno T, Becker S, Griesinger C, Meiler J. A thorough dynamic interpretation of residual dipolar couplings in ubiquitin Journal of Biomolecular Nmr. 34: 101-115. PMID 16518697 DOI: 10.1007/s10858-005-5686-0 |
1 |
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| 2005 |
Lakomek NA, Farès C, Becker S, Carlomagno T, Meiler J, Griesinger C. Side-chain orientation and hydrogen-bonding imprint supra-τC motion on the protein backbone of ubiquitin Angewandte Chemie - International Edition. 44: 7776-7778. PMID 16276548 DOI: 10.1002/anie.200502573 |
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| 2005 |
Graña O, Baker D, MacCallum RM, Meiler J, Punta M, Rost B, Tress ML, Valencia A. CASP6 assessment of contact prediction. Proteins. 61: 214-24. PMID 16187364 DOI: 10.1002/prot.20739 |
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| 2005 |
Bradley P, Malmström L, Qian B, Schonbrun J, Chivian D, Kim DE, Meiler J, Misura KM, Baker D. Free modeling with Rosetta in CASP6. Proteins. 61: 128-34. PMID 16187354 DOI: 10.1002/prot.20729 |
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| 2005 |
Sánchez-Pedregal VM, Reese M, Meiler J, Blommers MJJ, Griesinger C, Carlomagno T. The INPHARMA method: Protein-mediated interligand NOEs for pharmacophore mapping Angewandte Chemie - International Edition. 44: 4172-4175. PMID 15929149 DOI: 10.1002/anie.200500503 |
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| 2005 |
Meiler J, Baker D. The fumarate sensor DcuS: progress in rapid protein fold elucidation by combining protein structure prediction methods with NMR spectroscopy. Journal of Magnetic Resonance (San Diego, Calif. : 1997). 173: 310-6. PMID 15780923 DOI: 10.1016/j.jmr.2004.11.031 |
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| 2004 |
Meiler J, Köck M. Novel methods of automated structure elucidation based on 13C NMR spectroscopy Magnetic Resonance in Chemistry. 42: 1042-1045. PMID 15470690 DOI: 10.1002/mrc.1424 |
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| 2004 |
Griesinger C, Peti W, Meiler J, Brüschweiler R. Projection angle restraints for studying structure and dynamics of biomolecules Methods in Molecular Biology (Clifton, N.J.). 278: 107-121. PMID 15317994 |
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| 2004 |
Kuhn M, Meiler J, Baker D. Strand-loop-strand motifs: prediction of hairpins and diverging turns in proteins. Proteins. 54: 282-8. PMID 14696190 DOI: 10.1002/prot.10589 |
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| 2003 |
Meiler J, Baker D. Rapid protein fold determination using unassigned NMR data. Proceedings of the National Academy of Sciences of the United States of America. 100: 15404-9. PMID 14668443 DOI: 10.1073/pnas.2434121100 |
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| 2003 |
Bradley P, Chivian D, Meiler J, Misura KM, Rohl CA, Schief WR, Wedemeyer WJ, Schueler-Furman O, Murphy P, Schonbrun J, Strauss CE, Baker D. Rosetta predictions in CASP5: successes, failures, and prospects for complete automation. Proteins. 53: 457-68. PMID 14579334 DOI: 10.1002/prot.10552 |
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| 2003 |
Meiler J, Baker D. Coupled prediction of protein secondary and tertiary structure. Proceedings of the National Academy of Sciences of the United States of America. 100: 12105-10. PMID 14528006 DOI: 10.1073/pnas.1831973100 |
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| 2003 |
Meiler J, Peti W, Griesinger C. Dipolar couplings in multiple alignments suggest α helical motion in ubiquitin Journal of the American Chemical Society. 125: 8072-8073. PMID 12837055 DOI: 10.1021/ja029816l |
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| 2003 |
Carlomagno T, Blommers MJJ, Meiler J, Jahnke W, Schupp T, Petersen F, Schinzer D, Altmann KH, Griesinger C. The high-resolution solution structure of epothilone A bound to tuhulin: An understanding of the structure-activity relationships for a powerful class of antitumor agents Angewandte Chemie - International Edition. 42: 2511-2515. PMID 12800173 DOI: 10.1002/anie.200351276 |
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| 2003 |
Meiler J. PROSHIFT: Protein chemical shift prediction using artificial neural networks Journal of Biomolecular Nmr. 26: 25-37. PMID 12766400 DOI: 10.1023/A:1023060720156 |
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| 2003 |
Bleckmann A, Meiler J. Epothilones: Quantitative Structure Activity Relations Studied by Support Vector Machines and Artificial Neural Networks Qsar and Combinatorial Science. 22: 722-728. |
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| 2002 |
Hutter MC, Krebs J, Meiler J, Griesinger C, Carafoli E, Helms V. A structural model of the complex formed by phospholamban and the calcium pump of sarcoplasmic reticulum obtained by molecular mechanics Chembiochem. 3: 1200-1208. PMID 12465028 DOI: 10.1002/1439-7633(20021202)3:12<1200::AID-CBIC1200>3.0.CO;2-H |
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| 2002 |
Meiler J, Maier W, Will M, Meusinger R. Using neural networks for 13C NMR chemical shift prediction-comparison with traditional methods Journal of Magnetic Resonance. 157: 242-252. PMID 12323143 DOI: 10.1006/jmre.2002.2599 |
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| 2002 |
Peti W, Meiler J, Brüschweiler R, Griesinger C. Model-free analysis of protein backbone motion from residual dipolar couplings Journal of the American Chemical Society. 124: 5822-5833. PMID 12010057 DOI: 10.1021/ja011883c |
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| 2002 |
Meiler J, Will M. Genius: A genetic algorithm for automated structure elucidation from 13C NMR spectra Journal of the American Chemical Society. 124: 1868-1870. PMID 11866596 DOI: 10.1021/ja0109388 |
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| 2002 |
Meiler J, Sanli E, Junker J, Meusinger R, Lindel T, Will M, Maier W, Köck M. Validation of structural proposals by substructure analysis and 13C NMR chemical shift prediction Journal of Chemical Information and Computer Sciences. 42: 241-248. DOI: 10.1021/ci010294n |
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| 2002 |
Meiler J, Meringer M. Ranking Molgen structure proposals by 13C NMR chemical shift prediction with analyze Match. 85-108. |
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| 2001 |
Meiler J, Will M. Automated Structure Elucidation of Organic Molecules from 13C NMR Spectra Using Genetic Algorithms and Neural Networks Journal of Chemical Information and Computer Sciences. 41: 1535-1546. PMID 11749580 DOI: 10.1021/ci0102970 |
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| 2001 |
Carlomagno T, Blommers MJJ, Meiler J, Cuenoud B, Griesinger C. Determination of aliphatic side-chain conformation using cross-correlated relaxation: Application to an extraordinarily stable 2′-aminoethoxy-modified oligonucleotide triplex Journal of the American Chemical Society. 123: 7364-7370. PMID 11472167 DOI: 10.1021/ja002592r |
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| 2001 |
Meiler J, Prompers JJ, Peti W, Griesinger C, Brüschweiler R. Model-free approach to the dynamic interpretation of residual dipolar couplings in globular proteins Journal of the American Chemical Society. 123: 6098-6107. PMID 11414844 DOI: 10.1021/ja010002z |
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| 2001 |
Hlubek F, Löhberg C, Meiler J, Jung A, Kirchner T, Brabletz T. Tip60 is a cell-type-specific transcriptional regulator Journal of Biochemistry. 129: 635-641. PMID 11275565 |
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| 2001 |
Meiler J, Müller M, Zeidler A, Schmäschke F. Generation and evaluation of dimension-reduced amino acid parameter representations by artificial neural networks Journal of Molecular Modeling. 7: 360-369. DOI: 10.1007/s008940100038 |
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| 2001 |
Neubauer H, Meiler J, Peti W, Griesinger C. NMR structure determination of saccharose and raffinose by means of homo- and heteronuclear dipolar couplings Helvetica Chimica Acta. 84: 243-258. DOI: 10.1002/1522-2675(20010131)84:1<243::AID-HLCA243>3.0.CO;2-F |
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| 2000 |
Meiler J, Meusinger R, Will M. Fast determination of 13C NMR chemical shifts using artificial neural networks Journal of Chemical Information and Computer Sciences. 40: 1169-1176. PMID 11045810 |
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| 2000 |
Meiler J, Peti W, Griesinger C. DipoCoup: A versatile program for 3D-structure homology comparison based on residual dipolar couplings and pseudocontact shifts Journal of Biomolecular Nmr. 17: 283-294. PMID 11014592 DOI: 10.1023/A:1008362931964 |
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| 2000 |
Meiler J, Blomberg N, Nilges M, Griesinger C. A new approach for applying residual dipolar couplings as restraints in structure elucidation Journal of Biomolecular Nmr. 16: 245-252. PMID 10805131 DOI: 10.1023/A:1008378624590 |
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| 1999 |
Brabletz T, Jung A, Hlubek F, Löhberg C, Meiler J, Suchy U, Kirchner T. Negative regulation of CD4 expression in T cells by the transcriptional repressor ZEB International Immunology. 11: 1701-1708. PMID 10508188 DOI: 10.1093/intimm/11.10.1701 |
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| 1999 |
Meiler J, Meusinger R, Will M. Neural network prediction of 13C NMR chemical shifts of substituted benzenes Monatshefte Fur Chemie. 130: 1089-1095. |
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| 1998 |
Wendt MA, Meiler J, Weinhold F, Farrar TC. Solvent and concentration dependence of the hydroxyl chemical shift of methanol Molecular Physics. 93: 145-151. |
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