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Heather A. Carlson - Publications

Affiliations: 
Chemistry University of Michigan, Ann Arbor, Ann Arbor, MI 
Area:
protein-ligand recognition, protein flexibility, and new methods for computer-aided drug discovery
Website:
http://www.ccmb.med.umich.edu/node/201
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Year Citation  Score
2023 Chan WKB, Carlson HA, Traynor JR. . Molecular Pharmacology. PMID 36868791 DOI: 10.1124/molpharm.122.000612  0.746
2023 Wagle S, Smith RD, Dominic AJ, DasGupta D, Tripathi SK, Carlson HA. Sunsetting Binding MOAD with its last data update and the addition of 3D-ligand polypharmacology tools. Scientific Reports. 13: 3008. PMID 36810894 DOI: 10.1038/s41598-023-29996-w  0.422
2022 Motl N, Smith RD, Carlson HA, Scott EE. Profiling the Cytochrome P450 2J2 Active Site. Faseb Journal : Official Publication of the Federation of American Societies For Experimental Biology. PMID 35553025 DOI: 10.1096/fasebj.2022.36.S1.R5384  0.305
2022 Lal Gupta P, Carlson HA. Cosolvent Simulations with Fragment-Bound Proteins Identify Hot Spots to Direct Lead Growth. Journal of Chemical Theory and Computation. PMID 35533286 DOI: 10.1021/acs.jctc.1c01054  0.373
2022 Chan WKB, Olson KM, Wotring JW, Sexton JZ, Carlson HA, Traynor JR. In silico analysis of SARS-CoV-2 proteins as targets for clinically available drugs. Scientific Reports. 12: 5320. PMID 35351926 DOI: 10.1038/s41598-022-08320-y  0.748
2022 DasGupta D, Chan WKB, Carlson HA. Computational Identification of Possible Allosteric Sites and Modulators of the SARS-CoV-2 Main Protease. Journal of Chemical Information and Modeling. PMID 35107014 DOI: 10.1021/acs.jcim.1c01223  0.68
2021 Chan WKB, DasGupta D, Carlson HA, Traynor JR. Mixed-solvent molecular dynamics simulation-based discovery of a putative allosteric site on regulator of G protein signaling 4. Journal of Computational Chemistry. PMID 34494289 DOI: 10.1002/jcc.26747  0.758
2021 Smith RD, Carlson HA. Identification of Cryptic Binding Sites Using MixMD with Standard and Accelerated Molecular Dynamics. Journal of Chemical Information and Modeling. PMID 33599485 DOI: 10.1021/acs.jcim.0c01002  0.504
2021 Makley LN, Johnson OT, Ghanakota P, Rauch JN, Osborn D, Wu TS, Cierpicki T, Carlson HA, Gestwicki JE. Chemical validation of a druggable site on Hsp27/HSPB1 using in silico solvent mapping and biophysical methods. Bioorganic & Medicinal Chemistry. 34: 115990. PMID 33549906 DOI: 10.1016/j.bmc.2020.115990  0.348
2020 Clark JJ, Orban ZJ, Carlson HA. Predicting binding sites from unbound versus bound protein structures. Scientific Reports. 10: 15856. PMID 32985584 DOI: 10.1038/s41598-020-72906-7  0.761
2020 Chan W, Carlson H, Traynor J. Cosolvent Molecular Dynamics Simulation‐Based Discovery of Potential Allosteric Sites on Regulator of G Protein Signaling 4 The Faseb Journal. 34: 1-1. DOI: 10.1096/Fasebj.2020.34.S1.07054  0.737
2019 Smith RD, Clark JJ, Ahmed A, Orban ZJ, Dunbar JB, Carlson HA. Updates to Binding MOAD (Mother of All Databases): Polypharmacology Tools and Their Utility in Drug Repurposing. Journal of Molecular Biology. PMID 31125569 DOI: 10.1016/J.Jmb.2019.05.024  0.78
2019 Ghanakota P, DasGupta D, Carlson HA. Free energies and entropies of binding sites identified by MixMD cosolvent simulations. Journal of Chemical Information and Modeling. PMID 31017411 DOI: 10.1021/Acs.Jcim.8B00925  0.418
2019 Clark JJ, Benson ML, Smith RD, Carlson HA. Inherent versus induced protein flexibility: Comparisons within and between apo and holo structures. Plos Computational Biology. 15: e1006705. PMID 30699115 DOI: 10.1371/Journal.Pcbi.1006705  0.817
2018 Graham S, Leja N, Carlson HA. MixMD Probeview: Robust Binding Site Prediction from Cosolvent Simulations. Journal of Chemical Information and Modeling. PMID 29905479 DOI: 10.1021/Acs.Jcim.8B00265  0.421
2018 Hirmke A, Dua M, Early CJ, Maxson PF, Mujtaba M, Noureddine M, Mudra Rakshasa A, Carlson HA, Lerner MG. Correlated Motions in Several Variants of the DHFR-NADPH Complex Biophysical Journal. 114: 234a. DOI: 10.1016/J.Bpj.2017.11.1302  0.597
2017 Graham S, Smith RD, Carlson HA. Predicting Displaceable Water Sites Using Mixed-Solvent Molecular Dynamics. Journal of Chemical Information and Modeling. PMID 29286658 DOI: 10.1021/Acs.Jcim.7B00268  0.525
2017 Smith RD, Lu J, Carlson HA. Are there physicochemical differences between allosteric and competitive ligands? Plos Computational Biology. 13: e1005813. PMID 29125840 DOI: 10.1371/Journal.Pcbi.1005813  0.484
2017 Ghanakota P, Carlson HA. Comparing pharmacophore models derived from crystallography and NMR ensembles. Journal of Computer-Aided Molecular Design. PMID 29047011 DOI: 10.1007/S10822-017-0077-7  0.441
2017 Earley CJ, Maxson PF, Murda Rakshasa A, Carlson HA, Lerner MG. Correlated Motions in the DHFR-NADPH Complex Biophysical Journal. 112: 498a. DOI: 10.1016/J.Bpj.2016.11.2695  0.627
2016 Gathiaka S, Liu S, Chiu M, Yang H, Stuckey JA, Kang YN, Delproposto J, Kubish G, Dunbar JB, Carlson HA, Burley SK, Walters WP, Amaro RE, Feher VA, Gilson MK. D3R grand challenge 2015: Evaluation of protein-ligand pose and affinity predictions. Journal of Computer-Aided Molecular Design. 30: 651-668. PMID 27696240 DOI: 10.1007/S10822-016-9946-8  0.638
2016 Ghanakota P, Carlson HA. Driving Structure Based Drug Discovery through Cosolvent Molecular Dynamics. Journal of Medicinal Chemistry. PMID 27486927 DOI: 10.1021/Acs.Jmedchem.6B00399  0.438
2016 Ghanakota P, Carlson HA. Moving Beyond Active-Site Detection: MixMD Applied to Allosteric Systems. The Journal of Physical Chemistry. B. PMID 27258368 DOI: 10.1021/Acs.Jpcb.6B03515  0.445
2016 Carlson HA, Smith RD, Damm-Ganamet KL, Stuckey JA, Ahmed A, Convery MA, Somers DO, Kranz M, Elkins PA, Cui G, Peishoff CE, Lambert MH, Dunbar JB. CSAR 2014: A Benchmark Exercise Using Unpublished Data from Pharma. Journal of Chemical Information and Modeling. PMID 27149958 DOI: 10.1021/Acs.Jcim.5B00523  0.504
2016 Graham SE, Tweedy SE, Carlson HA. Dynamic Behavior of the Post-SET Loop Region of NSD1: Implications for Histone Binding and Drug Development. Protein Science : a Publication of the Protein Society. PMID 26940890 DOI: 10.1002/Pro.2912  0.377
2015 Smith RD, Damm-Ganamet KL, Dunbar JB, Ahmed A, Chinnaswamy K, Delproposto JE, Kubish GM, Tinberg CE, Khare SD, Dou J, Doyle L, Stuckey JA, Baker D, Carlson HA. CSAR Benchmark Exercise 2013: Evaluation of Results from a Combined Computational Protein Design, Docking, and Scoring/Ranking Challenge. Journal of Chemical Information and Modeling. PMID 26419257 DOI: 10.1021/Acs.Jcim.5B00387  0.511
2015 Ung PM, Ghanakota P, Graham SE, Lexa KW, Carlson HA. Identifying binding hot spots on protein surfaces by mixed-solvent MD: HIV-1 protease as a test case. Biopolymers. PMID 26385317 DOI: 10.1002/Bip.22742  0.757
2015 Ahmed A, Smith RD, Clark JJ, Dunbar JB, Carlson HA. Recent improvements to Binding MOAD: a resource for protein-ligand binding affinities and structures. Nucleic Acids Research. 43: D465-9. PMID 25378330 DOI: 10.1093/Nar/Gku1088  0.766
2014 Ung PM, Dunbar JB, Gestwicki JE, Carlson HA. An allosteric modulator of HIV-1 protease shows equipotent inhibition of wild-type and drug-resistant proteases. Journal of Medicinal Chemistry. 57: 6468-78. PMID 25062388 DOI: 10.1021/Jm5008352  0.412
2014 Lexa KW, Goh GB, Carlson HA. Parameter choice matters: validating probe parameters for use in mixed-solvent simulations. Journal of Chemical Information and Modeling. 54: 2190-9. PMID 25058662 DOI: 10.1021/Ci400741U  0.745
2013 Khazanov NA, Carlson HA. Exploring the composition of protein-ligand binding sites on a large scale. Plos Computational Biology. 9: e1003321. PMID 24277997 DOI: 10.1371/Journal.Pcbi.1003321  0.79
2013 Ung PM, Thompson AD, Chang L, Gestwicki JE, Carlson HA. Identification of key hinge residues important for nucleotide-dependent allostery in E. coli Hsp70/DnaK. Plos Computational Biology. 9: e1003279. PMID 24277995 DOI: 10.1371/Journal.Pcbi.1003279  0.366
2013 Carlson HA. Check your confidence: size really does matter. Journal of Chemical Information and Modeling. 53: 1837-41. PMID 23909878 DOI: 10.1021/Ci4004249  0.317
2013 Dunbar JB, Smith RD, Damm-Ganamet KL, Ahmed A, Esposito EX, Delproposto J, Chinnaswamy K, Kang YN, Kubish G, Gestwicki JE, Stuckey JA, Carlson HA. CSAR data set release 2012: ligands, affinities, complexes, and docking decoys. Journal of Chemical Information and Modeling. 53: 1842-52. PMID 23617227 DOI: 10.1021/Ci4000486  0.498
2013 Damm-Ganamet KL, Smith RD, Dunbar JB, Stuckey JA, Carlson HA. CSAR benchmark exercise 2011-2012: evaluation of results from docking and relative ranking of blinded congeneric series. Journal of Chemical Information and Modeling. 53: 1853-70. PMID 23548044 DOI: 10.1021/Ci400025F  0.515
2013 Lexa KW, Carlson HA. Improving protocols for protein mapping through proper comparison to crystallography data. Journal of Chemical Information and Modeling. 53: 391-402. PMID 23327200 DOI: 10.1021/Ci300430V  0.76
2012 Khazanov NA, Damm-Ganamet KL, Quang DX, Carlson HA. Overcoming sequence misalignments with weighted structural superposition. Proteins. 80: 2523-35. PMID 22733542 DOI: 10.1002/Prot.24134  0.73
2012 Smith RD, Engdahl AL, Dunbar JB, Carlson HA. Biophysical limits of protein-ligand binding. Journal of Chemical Information and Modeling. 52: 2098-106. PMID 22713103 DOI: 10.1021/Ci200612F  0.516
2012 Lexa KW, Carlson HA. Protein flexibility in docking and surface mapping. Quarterly Reviews of Biophysics. 45: 301-43. PMID 22569329 DOI: 10.1017/S0033583512000066  0.775
2011 Smith RD, Dunbar JB, Ung PM, Esposito EX, Yang CY, Wang S, Carlson HA. CSAR benchmark exercise of 2010: combined evaluation across all submitted scoring functions. Journal of Chemical Information and Modeling. 51: 2115-31. PMID 21809884 DOI: 10.1021/Ci200269Q  0.468
2011 Dunbar JB, Smith RD, Yang CY, Ung PM, Lexa KW, Khazanov NA, Stuckey JA, Wang S, Carlson HA. CSAR benchmark exercise of 2010: selection of the protein-ligand complexes. Journal of Chemical Information and Modeling. 51: 2036-46. PMID 21728306 DOI: 10.1021/Ci200082T  0.788
2011 Lexa KW, Carlson HA. Binding to the open conformation of HIV-1 protease. Proteins. 79: 2282-90. PMID 21604303 DOI: 10.1002/Prot.23054  0.765
2011 Spronk SA, Carlson HA. The role of tyrosine 71 in modulating the flap conformations of BACE1. Proteins. 79: 2247-59. PMID 21590744 DOI: 10.1002/Prot.23050  0.415
2011 Chang L, Miyata Y, Ung PM, Bertelsen EB, McQuade TJ, Carlson HA, Zuiderweg ER, Gestwicki JE. Chemical screens against a reconstituted multiprotein complex: myricetin blocks DnaJ regulation of DnaK through an allosteric mechanism. Chemistry & Biology. 18: 210-21. PMID 21338918 DOI: 10.1016/J.Chembiol.2010.12.010  0.375
2011 Lexa KW, Carlson HA. Full protein flexibility is essential for proper hot-spot mapping. Journal of the American Chemical Society. 133: 200-2. PMID 21158470 DOI: 10.1021/Ja1079332  0.758
2011 Dunbar JB, Smith RD, Yang C, Ung PM, Lexa KW, Khazanov NA, Stuckey JA, Wang S, Carlson HA. Correction to CSAR Benchmark Exercise of 2010: Selection of the Protein–Ligand Complexes Journal of Chemical Information and Modeling. 51: 2146-2146. DOI: 10.1021/Ci200363Q  0.745
2010 Reinke AA, Ung PM, Quintero JJ, Carlson HA, Gestwicki JE. Chemical probes that selectively recognize the earliest Aβ oligomers in complex mixtures. Journal of the American Chemical Society. 132: 17655-7. PMID 21105683 DOI: 10.1021/Ja106291E  0.663
2010 Wisén S, Bertelsen EB, Thompson AD, Patury S, Ung P, Chang L, Evans CG, Walter GM, Wipf P, Carlson HA, Brodsky JL, Zuiderweg ER, Gestwicki JE. Binding of a small molecule at a protein-protein interface regulates the chaperone activity of hsp70-hsp40. Acs Chemical Biology. 5: 611-22. PMID 20481474 DOI: 10.1021/Cb1000422  0.354
2010 Chang L, Thompson AD, Ung P, Carlson HA, Gestwicki JE. Mutagenesis reveals the complex relationships between ATPase rate and the chaperone activities of Escherichia coli heat shock protein 70 (Hsp70/DnaK). The Journal of Biological Chemistry. 285: 21282-91. PMID 20439464 DOI: 10.1074/Jbc.M110.124149  0.326
2010 BENSON ML, SMITH RD, KHAZANOV NA, CARLSON HA, DIMCHEFF B, DRESSLAR P. UPDATING BINDING MOAD — DATA MANAGEMENT AND INFORMATION WORKFLOW New Mathematics and Natural Computation. 6: 49-56. DOI: 10.1142/S1793005710001608  0.75
2009 Schuyler AD, Carlson HA, Feldman EL. Computational methods for predicting sites of functionally important dynamics. The Journal of Physical Chemistry. B. 113: 6613-22. PMID 19378962 DOI: 10.1016/J.Bpj.2008.12.3643  0.369
2009 Lexa KW, Damm KL, Quintero JJ, Gestwicki JE, Carlson HA. Clarifying allosteric control of flap conformations in the 1TW7 crystal structure of HIV-1 protease. Proteins. 74: 872-80. PMID 18704936 DOI: 10.1002/Prot.22195  0.765
2008 Carlson HA, Smith RD, Khazanov NA, Kirchhoff PD, Dunbar JB, Benson ML. Differences between high- and low-affinity complexes of enzymes and nonenzymes. Journal of Medicinal Chemistry. 51: 6432-41. PMID 18826206 DOI: 10.1021/Jm8006504  0.804
2008 Lerner MG, Meagher KL, Carlson HA. Automated clustering of probe molecules from solvent mapping of protein surfaces: new algorithms applied to hot-spot mapping and structure-based drug design. Journal of Computer-Aided Molecular Design. 22: 727-36. PMID 18679808 DOI: 10.1007/S10822-008-9231-6  0.792
2008 Damm KL, Ung PM, Quintero JJ, Gestwicki JE, Carlson HA. A poke in the eye: inhibiting HIV-1 protease through its flap-recognition pocket. Biopolymers. 89: 643-52. PMID 18381626 DOI: 10.1002/Bip.20993  0.803
2008 Benson ML, Smith RD, Khazanov NA, Dimcheff B, Beaver J, Dresslar P, Nerothin J, Carlson HA. Binding MOAD, a high-quality protein-ligand database. Nucleic Acids Research. 36: D674-8. PMID 18055497 DOI: 10.1093/Nar/Gkm911  0.814
2007 Bowman AL, Nikolovska-Coleska Z, Zhong H, Wang S, Carlson HA. Small molecule inhibitors of the MDM2-p53 interaction discovered by ensemble-based receptor models. Journal of the American Chemical Society. 129: 12809-14. PMID 17902662 DOI: 10.1021/Ja073687X  0.424
2007 Lerner MG, Bowman AL, Carlson HA. Incorporating dynamics in E. coli dihydrofolate reductase enhances structure-based drug discovery. Journal of Chemical Information and Modeling. 47: 2358-65. PMID 17877338 DOI: 10.1021/Ci700167N  0.709
2007 Damm KL, Carlson HA. Exploring experimental sources of multiple protein conformations in structure-based drug design. Journal of the American Chemical Society. 129: 8225-35. PMID 17555316 DOI: 10.1021/Ja0709728  0.825
2007 Bowman AL, Lerner MG, Carlson HA. Protein flexibility and species specificity in structure-based drug discovery: dihydrofolate reductase as a test system. Journal of the American Chemical Society. 129: 3634-40. PMID 17335207 DOI: 10.1021/Ja068256D  0.697
2006 Zhong H, Carlson HA. Conformational Studies of Polyprolines. Journal of Chemical Theory and Computation. 2: 342-53. PMID 26626523 DOI: 10.1021/Ct050182T  0.313
2006 Meagher KL, Lerner MG, Carlson HA. Refining the multiple protein structure pharmacophore method: consistency across three independent HIV-1 protease models. Journal of Medicinal Chemistry. 49: 3478-84. PMID 16759090 DOI: 10.1021/Jm050755M  0.803
2006 Damm KL, Carlson HA. Gaussian-weighted RMSD superposition of proteins: a structural comparison for flexible proteins and predicted protein structures. Biophysical Journal. 90: 4558-73. PMID 16565070 DOI: 10.1529/Biophysj.105.066654  0.804
2006 Smith RD, Hu L, Falkner JA, Benson ML, Nerothin JP, Carlson HA. Exploring protein-ligand recognition with Binding MOAD. Journal of Molecular Graphics & Modelling. 24: 414-25. PMID 16168689 DOI: 10.1016/J.Jmgm.2005.08.002  0.672
2005 Kravitz JY, Pecoraro VL, Carlson HA. Quantum Mechanics/Molecular Mechanics Calculations of the Vanadium Dependent Chloroperoxidase. Journal of Chemical Theory and Computation. 1: 1265-74. PMID 26631670 DOI: 10.1021/Ct050132O  0.789
2005 Tan XJ, Carlson HA. Docking studies and ligand recognition in folylpolyglutamate synthetase. Journal of Medicinal Chemistry. 48: 7764-72. PMID 16302815 DOI: 10.1021/Jm0507734  0.475
2005 Hu L, Benson ML, Smith RD, Lerner MG, Carlson HA. Binding MOAD (Mother Of All Databases). Proteins. 60: 333-40. PMID 15971202 DOI: 10.1002/Prot.20512  0.786
2005 Todorov KA, Tan XJ, Nonekowski ST, Garcia GA, Carlson HA. The role of aspartic acid 143 in E. coli tRNA-guanine transglycosylase: insights from mutagenesis studies and computational modeling. Biophysical Journal. 89: 1965-77. PMID 15951383 DOI: 10.1529/Biophysj.105.059576  0.32
2005 Meagher KL, Carlson HA. Solvation influences flap collapse in HIV-1 protease. Proteins. 58: 119-25. PMID 15521062 DOI: 10.1002/Prot.20274  0.811
2005 Zhong H, Carlson HA. Computational studies and peptidomimetic design for the human p53-MDM2 complex. Proteins. 58: 222-34. PMID 15505803 DOI: 10.1002/Prot.20275  0.365
2005 Kravitz JY, Pecoraro VL, Carlson HA. Quantum mechanics/molecular mechanics calculations of the vanadium dependent chloroperoxidase Journal of Chemical Theory and Computation. 1: 1265-1274. DOI: 10.1021/ct050132o  0.745
2004 Meagher KL, Carlson HA. Incorporating protein flexibility in structure-based drug discovery: using HIV-1 protease as a test case. Journal of the American Chemical Society. 126: 13276-81. PMID 15479081 DOI: 10.1021/Ja0469378  0.818
2004 Zampella G, Kravitz JY, Webster CE, Fantucci P, Hall MB, Carlson HA, Pecoraro VL, De Luca L. Quantum mechanical models of the resting state of the vanadium-dependent haloperoxidase. Inorganic Chemistry. 43: 4127-36. PMID 15236524 DOI: 10.1021/Ic0353256  0.786
2003 Sandvoss LM, Carlson HA. Conformational behavior of beta-proline oligomers. Journal of the American Chemical Society. 125: 15855-62. PMID 14677977 DOI: 10.1021/Ja036471D  0.313
2003 Meagher KL, Redman LT, Carlson HA. Development of polyphosphate parameters for use with the AMBER force field. Journal of Computational Chemistry. 24: 1016-25. PMID 12759902 DOI: 10.1002/Jcc.10262  0.754
2002 Carlson HA. Protein flexibility and drug design: how to hit a moving target. Current Opinion in Chemical Biology. 6: 447-52. PMID 12133719 DOI: 10.1016/S1367-5931(02)00341-1  0.364
2002 Carlson HA. Protein flexibility is an important component of structure-based drug discovery. Current Pharmaceutical Design. 8: 1571-8. PMID 12052201 DOI: 10.2174/1381612023394232  0.497
2000 Carlson HA, Masukawa KM, Rubins K, Bushman FD, Jorgensen WL, Lins RD, Briggs JM, McCammon JA. Developing a dynamic pharmacophore model for HIV-1 integrase. Journal of Medicinal Chemistry. 43: 2100-14. PMID 10841789 DOI: 10.1021/Jm990322H  0.818
2000 Carlson HA, McCammon JA. Accommodating protein flexibility in computational drug design. Molecular Pharmacology. 57: 213-8. PMID 10648630  0.388
1999 Lins RD, Briggs JM, Straatsma TP, Carlson HA, Greenwald J, Choe S, McCammon JA. Molecular dynamics studies on the HIV-1 integrase catalytic domain. Biophysical Journal. 76: 2999-3011. PMID 10354426 DOI: 10.1016/S0006-3495(99)77453-9  0.785
1999 Carlson HA, Briggs JM, McCammon JA. Calculation of the pKa values for the ligands and side chains of Escherichia coli D-alanine:D-alanine ligase. Journal of Medicinal Chemistry. 42: 109-17. PMID 9888837 DOI: 10.1021/jm980351c  0.604
1999 Carlson HA, Masukawa KM, McCammon JA. Method for Including the Dynamic Fluctuations of a Protein in Computer-Aided Drug Design The Journal of Physical Chemistry A. 103: 10213-10219. DOI: 10.1021/Jp991997Z  0.625
1999 Potter MJ, Kirchhoff PD, Carlson HA, McCammon JA. Molecular dynamics of cryptophane and its complexes with tetramethylammonium and neopentane using a continuum solvent model Journal of Computational Chemistry. 20: 956-970. DOI: 10.1002/(Sici)1096-987X(19990715)20:9<956::Aid-Jcc7>3.0.Co;2-R  0.473
1999 Potter MJ, Kirchhoff PD, Carlson HA, Mccammon JA. Molecular dynamics of cryptophane and its complexes with tetramethylammonium and neopentane using a continuum solvent model Journal of Computational Chemistry. 20: 956-970.  0.367
1997 McDonald NA, Carlson HA, Jorgensen WL. Free energies of solvation in chloroform and water from a linear response approach Journal of Physical Organic Chemistry. 10: 563-576. DOI: 10.1002/(Sici)1099-1395(199707)10:7<563::Aid-Poc912>3.0.Co;2-0  0.459
1996 Carlson HA, Jorgensen WL. Monte Carlo investigations of solvent effects on the chorismate to prephenate rearrangement Journal of the American Chemical Society. 118: 8475-8484. DOI: 10.1021/Ja961500O  0.51
1995 Carlson HA, Jorgensen WL. An Extended Linear Response Method for Determining Free Energies of Hydration The Journal of Physical Chemistry. 99: 10667-10673. DOI: 10.1021/J100026A034  0.423
1995 Carlson HA, Jorgensen WL. Investigations into the stereochemistry of cyclophane-steroid complexes via Monte Carlo simulations Tetrahedron. 51: 449-472. DOI: 10.1016/0040-4020(94)00908-D  0.476
1993 Carlson HA, Nguyen TB, Orozco M, Jorgensen WL. Accuracy of free energies of hydration for organic molecules from 6-31g*-derived partial charges Journal of Computational Chemistry. 14: 1240-1249. DOI: 10.1002/Jcc.540141013  0.451
Low-probability matches (unlikely to be authored by this person)
2011 Schuyler AD, Carlson HA, Feldman EL. Computational methods for identifying a layered allosteric regulatory mechanism for ALS-causing mutations of Cu-Zn superoxide dismutase 1. Proteins. 79: 417-27. PMID 21104697 DOI: 10.1002/Prot.22892  0.299
2016 Lu J, Carlson HA. ChemTreeMap: An Interactive Map of Biochemical Similarity in Molecular Datasets. Bioinformatics (Oxford, England). PMID 27515740 DOI: 10.1093/Bioinformatics/Btw523  0.298
2015 Xu H, Majmudar JD, Davda D, Ghanakota P, Kim KH, Carlson HA, Showalter HD, Martin BR, Amidon GL. Substrate-Competitive Activity-Based Profiling of Ester Prodrug Activating Enzymes. Molecular Pharmaceutics. 12: 3399-407. PMID 26262434 DOI: 10.1021/Acs.Molpharmaceut.5B00414  0.297
1992 Carlson HA, Quelch GE, Schaefer HF. How "stable" is cyclobutyne? The activation energy for the unimolecular rearrangement to butatriene Journal of the American Chemical Society. 114: 5344-5348. DOI: 10.1021/Ja00039A053  0.291
2022 Siebenaler RF, Chugh S, Waninger JJ, Dommeti VL, Kenum C, Mody M, Gautam A, Patel N, Chu A, Bawa P, Hon J, Smith RD, Carlson H, Cao X, Tesmer JJG, et al. Argonaute 2 modulates EGFR-RAS signaling to promote mutant and driven malignancies. Pnas Nexus. 1: pgac084. PMID 35923912 DOI: 10.1093/pnasnexus/pgac084  0.288
2023 DasGupta D, Mehrani R, Carlson HA, Sharma S. Identifying Potential Ligand Binding Sites on Glycogen Synthase Kinase 3 Using Atomistic Cosolvent Simulations. Acs Applied Bio Materials. PMID 37141501 DOI: 10.1021/acsabm.2c01079  0.287
2013 Davidson AE, Siddiqui FM, Lopez MA, Lunt P, Carlson HA, Moore BE, Love S, Born DE, Roper H, Majumdar A, Jayadev S, Underhill HR, Smith CO, von der Hagen M, Hubner A, et al. Novel deletion of lysine 7 expands the clinical, histopathological and genetic spectrum of TPM2-related myopathies. Brain : a Journal of Neurology. 136: 508-21. PMID 23413262 DOI: 10.1093/Brain/Aws344  0.263
2017 Schlessinger A, Abagyan R, Carlson HA, Dang KK, Guinney J, Cagan RL. Multi-targeting Drug Community Challenge. Cell Chemical Biology. 24: 1434-1435. PMID 29272700 DOI: 10.1016/J.Chembiol.2017.12.006  0.252
2003 Huck BR, Fisk JD, Guzei IA, Carlson HA, Gellman SH. Secondary structural preferences of 2,2-disubstituted pyrrolidine-4-carboxylic acid oligomers: beta-peptide foldamers that cannot form internal hydrogen bonds. Journal of the American Chemical Society. 125: 9035-7. PMID 15369358 DOI: 10.1021/Ja034561C  0.245
2011 Carlson HA, Dunbar JB. A call to arms: what you can do for computational drug discovery. Journal of Chemical Information and Modeling. 51: 2025-6. PMID 21942243 DOI: 10.1021/Ci200398G  0.245
2016 Carlson HA. Lessons Learned over Four Benchmark Exercises from the Community Structure-Activity Resource. Journal of Chemical Information and Modeling. 56: 951-4. PMID 27345761 DOI: 10.1021/Acs.Jcim.6B00182  0.234
1999 Carlson HA, Masukawa KM, McCammon JA. Method for including the dynamic fluctuations of a protein in computer-aided drug design Journal of Physical Chemistry A. 103: 10213-10219.  0.223
2020 Shankar S, Tien JC, Siebenaler RF, Dommeti VL, Zelenka-Wang S, Waninger J, Wang X, Juckette KM, Xu A, Chugh S, Mody M, Eyunni S, Goodrum A, Tsaloff G, Zhang Y, ... ... Carlson HA, et al. Abstract A20: An essential role for Argonaute 2 in mouse models of KRAS driven cancers Molecular Cancer Research. 18. DOI: 10.1158/1557-3125.Ras18-A20  0.218
2019 Shankar S, Tien JC, Siebenaler RF, Dommeti VL, Zelenka-Wang S, Waninger J, Juckette KM, Xu A, Wang X, Chugh S, Mody M, Eyunni S, Goodrum A, Tsaloff G, Zhang Y, ... ... Carlson HA, et al. Abstract 957: An essential role forArgonaute 2in mouse models ofKRAS-driven cancers Cancer Research. 79: 957-957. DOI: 10.1158/1538-7445.Am2019-957  0.213
2016 Graham SE, Zhang L, Ali I, Cho YK, Ismail MD, Carlson HA, Foxman B. Prevalence of CTX-M extended-spectrum beta-lactamases and O25b sequence type 131 in Korean blood, urine, and rectal Escherichia coli isolates. Infection, Genetics and Evolution : Journal of Molecular Epidemiology and Evolutionary Genetics in Infectious Diseases. PMID 27101781 DOI: 10.1016/J.Meegid.2016.04.020  0.207
2022 Liu J, Carlson HA, Scott EE. The structure and characterization of human cytochrome P450 8B1 supports future drug design for non-alcoholic fatty liver disease and diabetes. The Journal of Biological Chemistry. 102344. PMID 35944583 DOI: 10.1016/j.jbc.2022.102344  0.2
2006 Zhong H, Carlson HA. Conformational studies of polyprolines Journal of Chemical Theory and Computation. 2: 342-353. DOI: 10.1021/ct050182t  0.172
2021 Xiong Z, Jeon M, Allaway RJ, Kang J, Park D, Lee J, Jeon H, Ko M, Jiang H, Zheng M, Tan AC, Guo X, Dang KK, Tropsha A, ... ... Carlson HA, et al. Crowdsourced identification of multi-target kinase inhibitors for RET- and TAU- based disease: The Multi-Targeting Drug DREAM Challenge. Plos Computational Biology. 17: e1009302. PMID 34520464 DOI: 10.1371/journal.pcbi.1009302  0.153
2012 Thirunavukkarasu V, Carlson HA, Wallace RD, Shea PR, Glauser MN. Model-based feedback flow control development and simulation for a pitching turret Aiaa Journal. 50: 1834-1842. DOI: 10.2514/1.J051062  0.123
2012 Wallace RD, Shea PR, Glauser MN, Thirunavukkarasu V, Carlson HA. Simulation-guided, model-based feedback flow control for a pitching turret Aiaa Journal. 50: 1685-1696. DOI: 10.2514/1.J051063  0.097
1993 Carlson HA, Nguyen TB, Orozco M, Jorgensen WL. Accuracy of free energies of hydration for organic molecules from 6-31G-derived partial charges Journal of Computational Chemistry. 14: 1240-1249.  0.095
1995 Carlson HA, Berkooz G, Lumley JL. Direct numerical simulation of flow in a channel with complex, time-dependent wall geometries: A pseudospectral method Journal of Computational Physics. 121: 155-175. DOI: 10.1006/Jcph.1995.1186  0.094
2015 Xu H, Majmudar JD, Davda D, Ghanakota P, Kim KH, Carlson HA, Showalter HD, Martin BR, Amidon GL. Substrate-Competitive Activity-Based Profiling of Ester Prodrug Activating Enzymes Molecular Pharmaceutics. 12: 3399-3407. DOI: 10.1021/acs.molpharmaceut.5b00414  0.084
1995 Carlson HA, Jorgensen WL. An extended linear response method for determining free energies of hydration Journal of Physical Chemistry. 99: 10667-10673.  0.084
2008 Or AC, Speyer JL, Carlson HA. Model reduction of input-output dynamical systems by proper orthogonal decomposition Aiaa Guidance, Navigation and Control Conference and Exhibit. DOI: 10.2514/1.29456  0.079
2012 Carlson HA, Verberg R, Lechniak JA, Bhamidpati KK. Flutter predictions with a reduced-order aeroelastic model 50th Aiaa Aerospace Sciences Meeting Including the New Horizons Forum and Aerospace Exposition.  0.071
1997 McDonald NA, Carlson HA, Jorgensen WL. Free energies of solvation in chloroform and water from a linear response approach Journal of Physical Organic Chemistry. 10: 563-576.  0.067
2013 Carlson HA, Verberg R, Lechniak JA, Reasor JA. A reduced-order model of an aeroelastic wing exhibiting a sub-critical hopf bifurcation 51st Aiaa Aerospace Sciences Meeting Including the New Horizons Forum and Aerospace Exposition 2013.  0.061
1999 Vera EM, Speight SL, Mildner C, Carlson H. Clients' perceptions and evaluations of similarities to and differences from their counselors Journal of Counseling Psychology. 46: 277-283. DOI: 10.1037/0022-0167.46.2.277  0.059
2020 Carlson H, Leitão J, Delplanque S, Cayeux I, Sander D, Vuilleumier P. Sustained effects of pleasant and unpleasant smells on resting state brain activity. Cortex; a Journal Devoted to the Study of the Nervous System and Behavior. 132: 386-403. PMID 33039687 DOI: 10.1016/j.cortex.2020.06.017  0.059
2004 Carlson HA, Roveda R, Glauser M. Models for controlling airfoil lift and drag Aiaa Paper. 5627-5638.  0.057
2010 Carlson H. Serving the underserved Jaapa : Official Journal of the American Academy of Physician Assistants. 23: 53. PMID 21086891  0.056
2011 Lister JJ, Roberts RA, Krause JC, Debiase D, Carlson H. An adaptive clinical test of temporal resolution: within-channel and across-channel gap detection. International Journal of Audiology. 50: 375-84. PMID 21303227 DOI: 10.3109/14992027.2010.551217  0.055
2006 Carlson HA, Thirunavukkarasu V, Speyer JL, Or AC. Closed-loop control of airfoil lift Collection of Technical Papers - 3rd Aiaa Flow Control Conference. 1: 472-487.  0.053
2004 Carlson HA, Roveda R, Boyd ID, Candler GV. A hybrid CFD-DSMC method of modeling continuum-rarefied flows Aiaa Paper. 7667-7674.  0.052
2005 Carlson HA, Feng JQ, Thomas JP, Kielb RE, Hall KC, Dowell EH. Computational models for nonlinear aeroelasticity 43rd Aiaa Aerospace Sciences Meeting and Exhibit - Meeting Papers. 4143-4152.  0.047
2009 Landrum RE, Carlson H, Manwaring W. The Relationship between Time to Complete a Test and Test Performance Psychology Learning & Teaching. 8: 53-56. DOI: 10.2304/Plat.2009.8.2.53  0.046
2012 Carlson H, Lenzi R, Raber MN, Varadhachary GR. A phase II study to evaluate the efficacy and toxicity of oxaliplatin in combination with gemcitabine in carcinoma of unknown primary. International Journal of Clinical Oncology. 18: 226-31. PMID 22218909 DOI: 10.1007/s10147-011-0366-4  0.046
2009 Bunata RE, Kosmopoulos V, Simmons S, Tayag TJ, Roso M, Carlson H. Primary tendon sheath enlargement and reconstruction in zone 2: an in vitro biomechanical study on tendon gliding resistance. The Journal of Hand Surgery. 34: 1436-43. PMID 19695797 DOI: 10.1016/j.jhsa.2009.05.005  0.045
1961 Carlson HA, Wegener HAR. Variant in technique for A. R. Lang's X-ray diffraction topography Journal of Applied Physics. 32: 125-126. DOI: 10.1063/1.1735944  0.04
2008 Carlson HA, Vaithianathan T, Verberg R, Speyer JL. Multiple-input-multiple-output aerodynamic control 46th Aiaa Aerospace Sciences Meeting and Exhibit.  0.039
2012 Shea PR, Glauser MN, Carlson HA, Verberg R, Schmit RF. Active flow control of a pitching turret flow field using closed-loop feedback control 6th Aiaa Flow Control Conference 2012.  0.031
1933 Paine JR, Carlson HA, Wangensteen OH. The postoperative control of distention, nausea and vomiting: A clinical study with reference to the employment of narcotics, cathartics, and nasal catheter suction-siphonage Journal of the American Medical Association. 100: 1910-1917. DOI: 10.1001/jama.1933.02740240006002  0.029
2022 Harris WS, Jackson KH, Carlson H, Hoem N, Dominguez TE, Burri L. Derivation of the Omega-3 Index from EPA and DHA Analysis of Dried Blood Spots from Dogs and Cats. Veterinary Sciences. 10. PMID 36669014 DOI: 10.3390/vetsci10010013  0.029
2006 Carlson HA, Vaithianathan T, Or AC, Speyer JL. A regulator and filter for tracking aerodynamic force Proceedings of the Ieee Conference On Decision and Control. 4591-4596.  0.028
2010 Wallace RD, Shea PR, Glauser MN, Vaithianathan T, Carlson HA. Closed-loop flow control for an articulating turret 5th Flow Control Conference.  0.027
2023 Harris WS, Jackson KH, Carlson H, Hoem N, Dominguez TE, Burri L. Correction: Harris et al. Derivation of the Omega-3 Index from EPA and DHA Analysis of Dried Blood Spots from Dogs and Cats. 2023, , 13. Veterinary Sciences. 10. PMID 37505887 DOI: 10.3390/vetsci10070422  0.025
2007 Munroe JS, Ryan PC, Carlson HA, Miller EK. Testing latest Wisconsinan ice flow directions in Vermont through quantitative X-ray diffraction analysis of soil mineralogy Northeastern Geology and Environmental Sciences. 29: 263-275.  0.023
2009 Wolf LE, Simkowitz P, Carlson H. College students with attention-deficit/hyperactivity disorder. Current Psychiatry Reports. 11: 415-21. PMID 19785984 DOI: 10.1007/s11920-009-0062-5  0.022
2018 Thomas TH, Jackson VA, Carlson H, Rinaldi S, Sousa A, Hansen A, Kamdar M, Jacobsen J, Park ER, Pirl WF, Temel JS, Greer JA. Communication Differences between Oncologists and Palliative Care Clinicians: A Qualitative Analysis of Early, Integrated Palliative Care in Patients with Advanced Cancer. Journal of Palliative Medicine. PMID 30359204 DOI: 10.1089/Jpm.2018.0092  0.02
2022 Greer JA, Moy B, El-Jawahri A, Jackson VA, Kamdar M, Jacobsen J, Lindvall C, Shin JA, Rinaldi S, Carlson HA, Sousa A, Gallagher ER, Li Z, Moran S, Ruddy M, et al. Randomized Trial of a Palliative Care Intervention to Improve End-of-Life Care Discussions in Patients With Metastatic Breast Cancer. Journal of the National Comprehensive Cancer Network : Jnccn. 20: 136-143. PMID 35130492 DOI: 10.6004/jnccn.2021.7040  0.02
2011 Wallace RD, Shea PR, Glauser MN, Vaithianathan T, Carlson HA, Schmit R. Suction flow control at high reynolds number 41st Aiaa Fluid Dynamics Conference and Exhibit.  0.018
1996 Carlson HA, Lumley JL. Active control in the turbulent wall layer of a minimal flow unit Journal of Fluid Mechanics. 329: 341-371.  0.017
1923 Bessesen AN, Carlson HA. Postnatal growth in weight of the body and of the various organs in the guinea‐pig American Journal of Anatomy. 31: 483-521. DOI: 10.1002/aja.1000310503  0.017
2000 Carlson HA, Genovese JE, Lunn MHB, Cassidy S. Shelf life experience with solid polymer electrolyte cell stacks Sae Technical Papers. DOI: 10.4271/2000-01-2504  0.014
2010 Wallace RD, Shea PR, Glauser MN, Vaithianathan T, Carlson HA. Feedback flow control for a pitching turret (Part II) 48th Aiaa Aerospace Sciences Meeting Including the New Horizons Forum and Aerospace Exposition.  0.013
2014 Carlson HA. The 12-minute journey. Narrative Inquiry in Bioethics. 4: 192-3. PMID 25481987 DOI: 10.1353/nib.2014.0060  0.013
1991 Carlson HA, Sexauer RN. A submarine advanced integrated life support system Sae Technical Papers. DOI: 10.4271/911330  0.013
2002 Freitag FG, Collins SD, Carlson HA, Goldstein J, Saper J, Silberstein S, Mathew N, Winner PK, Deaton R, Sommerville K. A randomized trial of divalproex sodium extended-release tablets in migraine prophylaxis. Neurology. 58: 1652-9. PMID 12058094  0.013
2014 Carlson H, Dahlin CM. Managing the Effects of Cardiac Cachexia Journal of Hospice & Palliative Nursing. 16: 15-20. DOI: 10.1097/NJH.0000000000000039  0.01
2010 Vaithianathan T, Carlson HA, Wallace RD, Shea PR, Glauser MN. Feedback flow control for a pitching turret (Part I) 48th Aiaa Aerospace Sciences Meeting Including the New Horizons Forum and Aerospace Exposition.  0.01
2008 Burke N, Carlson H, Sacchi T, DiDonato K. A clinical evaluation of the StarClose device in patients who are ambulated early post-diagnostic catheterization procedure Cardiovascular Revascularization Medicine. 9: 207. DOI: 10.1016/j.carrev.2008.03.052  0.01
1999 Carlson HA. Aerothermodynamic analyses of hypersonic, blunt-body flows Journal of Spacecraft and Rockets. 36: 912-915.  0.01
1996 Barnes MK, Harvey JH, Carlson H, Haig J. The relativity of grief: Differential adaptation reactions of younger and older persons Journal of Personal and Interpersonal Loss. 1: 375-392. DOI: 10.1080/10811449608414395  0.01
1996 Carlson HA, Lumley JL. Flow over an obstacle emerging from the wall of a channel Aiaa Journal. 34: 924-931.  0.01
1954 BRIGGS GW, CARLSON HA, HOUSEWORTH JH. Superior vena cava obstruction with complete obstruction of the right main pulmonary artery. American Heart Journal. 48: 288-92. PMID 13180482  0.01
1937 Carlson HA. Review of the twentieth annual meeting of the American Association for Thoracic Surgery, Saranac Lake, N. Y., May 31, June 1 and 2, 1937 Surgery. 2: 456-463.  0.01
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