| Year |
Citation |
Score |
| 2020 |
Bourassin N, Baaden M, Lojou E, Sacquin-Mora S. Implicit Modeling of the Impact of Adsorption on Solid Surfaces for Protein Mechanics and Activity with a Coarse-Grained Representation. The Journal of Physical Chemistry. B. PMID 32924507 DOI: 10.1021/Acs.Jpcb.0C05347 |
0.303 |
|
| 2020 |
Strilets D, Fa S, Hardiagon A, Baaden M, Ogoshi T, Barboiu M. Biomimetic approach for highly selective artificial water channels based on tubular Pillar[5]Arene dimers. Angewandte Chemie (International Ed. in English). PMID 32905651 DOI: 10.1002/Anie.202009219 |
0.328 |
|
| 2019 |
F Brandner A, Timr S, Melchionna S, Derreumaux P, Baaden M, Sterpone F. Modelling lipid systems in fluid with Lattice Boltzmann Molecular Dynamics simulations and hydrodynamics. Scientific Reports. 9: 16450. PMID 31712588 DOI: 10.1038/S41598-019-52760-Y |
0.348 |
|
| 2019 |
Laureanti J, Brandi J, Offor E, Engel D, Rallo R, Ginovska B, Martinez X, Baaden M, Baker NA. Visualizing biomolecular electrostatics in virtual reality with UnityMol-APBS. Protein Science : a Publication of the Protein Society. PMID 31710727 DOI: 10.1002/Pro.3773 |
0.31 |
|
| 2019 |
Brandner A, De Vecchis D, Baaden M, Cohen MM, Taly A. Structural dataset from microsecond-long simulations of yeast mitofusin Fzo1 in the context of membrane docking. Data in Brief. 26: 104460. PMID 31667232 DOI: 10.1016/J.Dib.2019.104460 |
0.362 |
|
| 2019 |
De Vecchis D, Brandner A, Baaden M, Cohen MM, Taly A. A Molecular Perspective on Mitochondrial Membrane Fusion: From the Key Players to Oligomerization and Tethering of Mitofusin. The Journal of Membrane Biology. PMID 31485701 DOI: 10.1007/S00232-019-00089-Y |
0.311 |
|
| 2019 |
Brandner A, De Vecchis D, Baaden M, Cohen MM, Taly A. Physics-based oligomeric models of the yeast mitofusin Fzo1 at the molecular scale in the context of membrane docking. Mitochondrion. PMID 31306768 DOI: 10.1016/J.Mito.2019.06.010 |
0.33 |
|
| 2018 |
Esque J, Sansom MSP, Baaden M, Oguey C. Analyzing protein topology based on Laguerre tessellation of a pore-traversing water network. Scientific Reports. 8: 13540. PMID 30202114 DOI: 10.1038/S41598-018-31422-5 |
0.357 |
|
| 2018 |
Murail S, Vasiliu T, Neamtu A, Barboiu M, Sterpone F, Baaden M. Water permeation across artificial I-quartet membrane channels: from structure to disorder. Faraday Discussions. PMID 29974103 DOI: 10.1039/C8Fd00046H |
0.375 |
|
| 2018 |
Maes A, Martinez X, Druart K, Laurent B, Guégan S, Marchand CH, Lemaire SD, Baaden M. MinOmics, an Integrative and Immersive Tool for Multi-Omics Analysis. Journal of Integrative Bioinformatics. PMID 29927748 DOI: 10.1515/Jib-2018-0006 |
0.304 |
|
| 2018 |
Kocsis I, Sorci M, Vanselous H, Murail S, Sanders SE, Licsandru E, Legrand YM, van der Lee A, Baaden M, Petersen PB, Belfort G, Barboiu M. Oriented chiral water wires in artificial transmembrane channels. Science Advances. 4: eaao5603. PMID 29582016 DOI: 10.1126/Sciadv.Aao5603 |
0.326 |
|
| 2017 |
Sterpone F, Doutreligne S, Tran TT, Melchionna S, Baaden M, Nguyen PH, Derreumaux P. Multi-scale simulations of biological systems using the OPEP coarse-grained model. Biochemical and Biophysical Research Communications. PMID 28917842 DOI: 10.1016/J.Bbrc.2017.08.165 |
0.36 |
|
| 2017 |
De Vecchis D, Cavellini L, Baaden M, Hénin J, Cohen MM, Taly A. A membrane-inserted structural model of the yeast mitofusin Fzo1. Scientific Reports. 7: 10217. PMID 28860650 DOI: 10.1038/S41598-017-10687-2 |
0.335 |
|
| 2017 |
Mazzanti L, Doutreligne S, Gageat C, Derreumaux P, Taly A, Baaden M, Pasquali S. What Can Human-Guided Simulations Bring to RNA Folding? Biophysical Journal. PMID 28648754 DOI: 10.1016/J.Bpj.2017.05.047 |
0.323 |
|
| 2017 |
Lev B, Murail S, Poitevin F, Cromer BA, Baaden M, Delarue M, Allen TW. String method solution of the gating pathways for a pentameric ligand-gated ion channel. Proceedings of the National Academy of Sciences of the United States of America. PMID 28487483 DOI: 10.1073/Pnas.1617567114 |
0.354 |
|
| 2017 |
Kozlíková B, Krone M, Falk M, Lindow N, Baaden M, Baum DS, Viola I, Parulek J, Hege H. Visualization of Biomolecular Structures: State of the Art Revisited Computer Graphics Forum. 36: 178-204. DOI: 10.1111/Cgf.13072 |
0.303 |
|
| 2017 |
Murail S, Pullumbi P, Baaden M. Deciphering Anesthetic Action of Noble Gases through their Modulation of Membrane Protein and Lipid Bilayer Properties Biophysical Journal. 112: 553. DOI: 10.1016/J.Bpj.2016.11.2987 |
0.335 |
|
| 2017 |
Lev B, Murail S, Poitevin F, Cromer BA, Baaden M, Delarue M, Allen TW. Gating Pathways for a Pentameric Ligand-Gated Ion Channel Solved by Atomistic String Method Simulations Biophysical Journal. 112: 475a. DOI: 10.1016/J.Bpj.2016.11.2553 |
0.335 |
|
| 2016 |
Licsandru E, Kocsis I, Shen Y, Murail S, Legrand YM, van der Lee A, Tsai D, Baaden M, Kumar M, Barboiu M. Salt-excluding artificial water channels exhibiting enhanced dipolar water and proton translocation. Journal of the American Chemical Society. PMID 27063409 DOI: 10.1021/Jacs.6B01811 |
0.309 |
|
| 2016 |
Laurent B, Murail S, Shahsavar A, Sauguet L, Delarue M, Baaden M. Sites of Anesthetic Inhibitory Action on a Cationic Ligand-Gated Ion Channel. Structure (London, England : 1993). PMID 27021161 DOI: 10.1016/J.Str.2016.02.014 |
0.35 |
|
| 2016 |
Vecchis DD, Taly A, Baaden M, Hénin J. Mitochondrial Membrane Fusion: Computational Modeling of Mitofusins Biophysical Journal. 110. DOI: 10.1016/J.Bpj.2015.11.3054 |
0.329 |
|
| 2016 |
Lev B, Murail S, Thomas M, Baaden M, Delarue M, Allen T. Allosteric Gating Pathways for the Pentameric Ligand-Gated Ion Channel Glic Biophysical Journal. 110: 456a. DOI: 10.1016/J.Bpj.2015.11.2442 |
0.355 |
|
| 2015 |
Moraga-Cid G, Sauguet L, Huon C, Malherbe L, Girard-Blanc C, Petres S, Murail S, Taly A, Baaden M, Delarue M, Corringer PJ. Allosteric and hyperekplexic mutant phenotypes investigated on an α1 glycine receptor transmembrane structure. Proceedings of the National Academy of Sciences of the United States of America. 112: 2865-70. PMID 25730860 DOI: 10.1073/Pnas.1417864112 |
0.307 |
|
| 2015 |
Reddy T, Shorthouse D, Parton DL, Jefferys E, Fowler PW, Chavent M, Baaden M, Sansom MS. Nothing to sneeze at: a dynamic and integrative computational model of an influenza A virion. Structure (London, England : 1993). 23: 584-97. PMID 25703376 DOI: 10.1016/J.Str.2014.12.019 |
0.329 |
|
| 2015 |
Laurent B, Chavent M, Cragnolini T, Dahl AC, Pasquali S, Derreumaux P, Sansom MS, Baaden M. Epock: rapid analysis of protein pocket dynamics. Bioinformatics (Oxford, England). 31: 1478-80. PMID 25505095 DOI: 10.1093/Bioinformatics/Btu822 |
0.34 |
|
| 2015 |
Pérez S, Tubiana T, Imberty A, Baaden M. Three-dimensional representations of complex carbohydrates and polysaccharides--SweetUnityMol: a video game-based computer graphic software. Glycobiology. 25: 483-91. PMID 25475093 DOI: 10.1093/Glycob/Cwu133 |
0.371 |
|
| 2015 |
Cragnolini T, Doutreligne S, Baaden M, Derreumaux P, Pasquali S. 44 Predicting and exploring complex nucleic acids architectures through a coarse-grained model Journal of Biomolecular Structure and Dynamics. 33: 30-31. DOI: 10.1080/07391102.2015.1032593 |
0.369 |
|
| 2015 |
Reddy T, Shorthouse D, Parton D, Jefferys E, Fowler PW, Chavent M, Baaden M, Sansom MS. Nothing to Sneeze at: A Full-Scale Computational Model of the Human Influenza Virion Biophysical Journal. 108: 31a. DOI: 10.1016/J.Bpj.2014.11.195 |
0.327 |
|
| 2014 |
Oteri F, Baaden M, Lojou E, Sacquin-Mora S. Multiscale simulations give insight into the hydrogen in and out pathways of [NiFe]-hydrogenases from Aquifex aeolicus and Desulfovibrio fructosovorans. The Journal of Physical Chemistry. B. 118: 13800-11. PMID 25399809 DOI: 10.1021/Jp5089965 |
0.332 |
|
| 2014 |
Dreher M, Prevoteau-Jonquet J, Trellet M, Piuzzi M, Baaden M, Raffin B, Ferey N, Robert S, Limet S. ExaViz: a flexible framework to analyse, steer and interact with molecular dynamics simulations. Faraday Discussions. 169: 119-42. PMID 25340956 DOI: 10.1039/C3Fd00142C |
0.367 |
|
| 2014 |
Molza AE, Férey N, Czjzek M, Le Rumeur E, Hubert JF, Tek A, Laurent B, Baaden M, Delalande O. Innovative interactive flexible docking method for multi-scale reconstruction elucidates dystrophin molecular assembly. Faraday Discussions. 169: 45-62. PMID 25340652 DOI: 10.1039/C3Fd00134B |
0.334 |
|
| 2014 |
Oteri F, Ciaccafava A, de Poulpiquet A, Baaden M, Lojou E, Sacquin-Mora S. The weak, fluctuating, dipole moment of membrane-bound hydrogenase from Aquifex aeolicus accounts for its adaptability to charged electrodes. Physical Chemistry Chemical Physics : Pccp. 16: 11318-22. PMID 24789038 DOI: 10.1039/C4Cp00510D |
0.304 |
|
| 2014 |
Poitevin F, Sauguet L, Murail S, Baaden M, Corringer P, Koehl P, Orland H, Delarue M. The Dipolar Solvent Model and Its Applications to the Structural Analysis of Low-(SAXS) and High-(CRYSTALLOGRAPHY) Resolution X-Ray Data Biophysical Journal. 106: 663a. DOI: 10.1016/J.Bpj.2013.11.3674 |
0.339 |
|
| 2014 |
Laurent B, Murail S, Sauguet L, Delarue M, Baaden M. Probing Pentameric Ligand-Gated Ion Channels with Bromoform Reveals Many Interconnected Anesthetic Binding Sites Biophysical Journal. 106: 342a. DOI: 10.1016/J.Bpj.2013.11.1956 |
0.333 |
|
| 2013 |
Sauguet L, Poitevin F, Murail S, Van Renterghem C, Moraga-Cid G, Malherbe L, Thompson AW, Koehl P, Corringer PJ, Baaden M, Delarue M. Structural basis for ion permeation mechanism in pentameric ligand-gated ion channels. The Embo Journal. 32: 728-41. PMID 23403925 DOI: 10.1038/Emboj.2013.17 |
0.344 |
|
| 2013 |
Laurent B, Murail S, Da Silva F, Corringer PJ, Baaden M. Modeling complex biological systems: From solution chemistry to membranes and channels Pure and Applied Chemistry. 85: 1-13. DOI: 10.1351/Pac-Con-12-04-10 |
0.381 |
|
| 2013 |
Tek A, Darré L, Bond PJ, Sansom MS, Pantano S, Baaden M. A Zoom on Membrane Fusion through Coarse-Grained, Atomistic and Hybrid Molecular Dynamics of SNARE Proteins Biophysical Journal. 104: 32a. DOI: 10.1016/J.Bpj.2012.11.214 |
0.367 |
|
| 2013 |
Oteri F, Poulpiquet AD, Ciaccafava A, Loujou E, Baaden M. Molecular Modeling of Hydrogenase Enzymes for Biofuel Cell Design Biophysical Journal. 104. DOI: 10.1016/J.Bpj.2012.11.1864 |
0.31 |
|
| 2012 |
Darré L, Tek A, Baaden M, Pantano S. Mixing Atomistic and Coarse Grain Solvation Models for MD Simulations: Let WT4 Handle the Bulk. Journal of Chemical Theory and Computation. 8: 3880-94. PMID 26593029 DOI: 10.1021/Ct3001816 |
0.393 |
|
| 2012 |
Prevost MS, Sauguet L, Nury H, Van Renterghem C, Huon C, Poitevin F, Baaden M, Delarue M, Corringer PJ. A locally closed conformation of a bacterial pentameric proton-gated ion channel. Nature Structural & Molecular Biology. 19: 642-9. PMID 22580559 DOI: 10.1038/Nsmb.2307 |
0.337 |
|
| 2012 |
Chavent M, Tek A, Lu Z, Piuzzi M, Baaden M. Hyperballs on GPU: Dynamic Visualization of Molecular Structures Biophysical Journal. 102. DOI: 10.1016/J.Bpj.2011.11.932 |
0.353 |
|
| 2012 |
Prevost M, Sauguet L, Nury H, Van Renterghem C, Huon C, Poitevin F, Baaden M, Delarue M, Corringer P. Cysteine Crosslinking to Study Allosteric Transitions of a Bacterial Homolog of Pentameric Channel-Receptors Biophysical Journal. 102: 113a. DOI: 10.1016/J.Bpj.2011.11.637 |
0.32 |
|
| 2012 |
Tek A, Bond PJ, Sansom MS, Baaden M. Insights into Membrane Fusion from Molecular Dynamics Simulations of SNARE Proteins Biophysical Journal. 102: 499a. DOI: 10.1016/J.Bpj.2011.11.2734 |
0.329 |
|
| 2012 |
Parton DL, Tek A, Baaden M, S.P. Sansom M. Molecular Dynamics Simulations of the Influenza Virus Envelope and Raft-Like Aggregates of Hemagglutinin Biophysical Journal. 102: 297a. DOI: 10.1016/J.Bpj.2011.11.1647 |
0.324 |
|
| 2012 |
Corringer P, Nury H, Van Renterghem C, Yeng Y, Tran A, Baaden M, Changeux J, Sonner JM, Delarue M. Allosteric Transition and Pharmacological Modulation of Pentameric Channel-Receptors: The Case of General Anesthetics Biophysical Journal. 102: 7a. DOI: 10.1016/J.Bpj.2011.11.060 |
0.362 |
|
| 2011 |
Delalande O, Sacquin-Mora S, Baaden M. Enzyme closure and nucleotide binding structurally lock guanylate kinase. Biophysical Journal. 101: 1440-9. PMID 21943425 DOI: 10.1016/J.Bpj.2011.07.048 |
0.365 |
|
| 2011 |
Chavent M, Vanel A, Tek A, Levy B, Robert S, Raffin B, Baaden M. GPU-accelerated atom and dynamic bond visualization using hyperballs: a unified algorithm for balls, sticks, and hyperboloids. Journal of Computational Chemistry. 32: 2924-35. PMID 21735559 DOI: 10.1002/Jcc.21861 |
0.317 |
|
| 2011 |
Catoire LJ, Damian M, Baaden M, Guittet E, Banères JL. Electrostatically-driven fast association and perdeuteration allow detection of transferred cross-relaxation for G protein-coupled receptor ligands with equilibrium dissociation constants in the high-to-low nanomolar range. Journal of Biomolecular Nmr. 50: 191-5. PMID 21688157 DOI: 10.1007/S10858-011-9523-3 |
0.341 |
|
| 2011 |
Nury H, Van Renterghem C, Weng Y, Tran A, Baaden M, Dufresne V, Changeux JP, Sonner JM, Delarue M, Corringer PJ. X-ray structures of general anaesthetics bound to a pentameric ligand-gated ion channel. Nature. 469: 428-31. PMID 21248852 DOI: 10.1038/Nature09647 |
0.373 |
|
| 2011 |
Parton DL, Baaden M, Sansom MS. Coarse-Grained Molecular Dynamics Simulations of the Entire Influenza Virus Envelope Biophysical Journal. 100: 403a. DOI: 10.1016/J.Bpj.2010.12.2392 |
0.329 |
|
| 2011 |
Nury H, Poitevin F, Van Renterghem C, Allen T, Changeux J, Corringer P, Delarue M, Baaden M. Conformational Dynamics in a Nicotinic Receptor Homologue Probed by Simulations Biophysical Journal. 100: 272a. DOI: 10.1016/J.Bpj.2010.12.1695 |
0.362 |
|
| 2010 |
Guéroult M, Picot D, Abi-Ghanem J, Hartmann B, Baaden M. How cations can assist DNase I in DNA binding and hydrolysis. Plos Computational Biology. 6: e1001000. PMID 21124947 DOI: 10.1371/Journal.Pcbi.1001000 |
0.348 |
|
| 2010 |
Sacquin-Mora S, Delalande O, Baaden M. Functional modes and residue flexibility control the anisotropic response of guanylate kinase to mechanical stress. Biophysical Journal. 99: 3412-9. PMID 21081090 DOI: 10.1016/J.Bpj.2010.09.026 |
0.305 |
|
| 2010 |
Zhang Y, Baaden M, Yan J, Shao J, Qiu S, Wu Y, Ding Y. The molecular recognition mechanism for superoxide dismutase presequence binding to the mitochondrial protein import receptor Tom20 from Oryza sativa involves an LRTLA motif. The Journal of Physical Chemistry. B. 114: 13839-46. PMID 20936826 DOI: 10.1021/Jp103547S |
0.4 |
|
| 2010 |
Nury H, Poitevin F, Van Renterghem C, Changeux JP, Corringer PJ, Delarue M, Baaden M. One-microsecond molecular dynamics simulation of channel gating in a nicotinic receptor homologue. Proceedings of the National Academy of Sciences of the United States of America. 107: 6275-80. PMID 20308576 DOI: 10.1073/Pnas.1001832107 |
0.372 |
|
| 2010 |
Corringer PJ, Baaden M, Bocquet N, Delarue M, Dufresne V, Nury H, Prevost M, Van Renterghem C. Atomic structure and dynamics of pentameric ligand-gated ion channels: new insight from bacterial homologues. The Journal of Physiology. 588: 565-72. PMID 19995852 DOI: 10.1113/Jphysiol.2009.183160 |
0.359 |
|
| 2010 |
Delalande O, Férey N, Laurent B, Guéroult M, Hartmann B, Baaden M. Mypal, a Multi-Resolution Approach For Interactively Locating Functionally Linked Ion Binding Sites Biophysical Journal. 98. DOI: 10.1016/J.Bpj.2009.12.067 |
0.359 |
|
| 2009 |
Durrieu MP, Bond PJ, Sansom MS, Lavery R, Baaden M. Coarse-grain simulations of the R-SNARE fusion protein in its membrane environment detect long-lived conformational sub-states. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. 10: 1548-52. PMID 19479895 DOI: 10.1002/Cphc.200900216 |
0.341 |
|
| 2009 |
Delalande O, Férey N, Grasseau G, Baaden M. Complex molecular assemblies at hand via interactive simulations. Journal of Computational Chemistry. 30: 2375-87. PMID 19353597 DOI: 10.1002/Jcc.21235 |
0.408 |
|
| 2009 |
Bocquet N, Nury H, Baaden M, Le Poupon C, Changeux JP, Delarue M, Corringer PJ. X-ray structure of a pentameric ligand-gated ion channel in an apparently open conformation. Nature. 457: 111-4. PMID 18987633 DOI: 10.1038/Nature07462 |
0.357 |
|
| 2009 |
Delalande O, Sacquin-Mora S, Baaden M. The Closure Mechanism Of M. Tuberculosis Guanylate Kinase Relates Structural Fluctuations To Enzymatic Function Biophysical Journal. 96. DOI: 10.1016/J.Bpj.2008.12.263 |
0.33 |
|
| 2008 |
Durrieu MP, Lavery R, Baaden M. Interactions between neuronal fusion proteins explored by molecular dynamics. Biophysical Journal. 94: 3436-46. PMID 18212009 DOI: 10.1529/Biophysj.107.123117 |
0.418 |
|
| 2008 |
Neri M, Baaden M, Carnevale V, Anselmi C, Maritan A, Carloni P. Microseconds dynamics simulations of the outer-membrane protease T. Biophysical Journal. 94: 71-8. PMID 17827219 DOI: 10.1529/Biophysj.107.116301 |
0.376 |
|
| 2008 |
Cox K, Bond PJ, Grottesi A, Baaden M, Sansom MS. Outer membrane proteins: comparing X-ray and NMR structures by MD simulations in lipid bilayers. European Biophysics Journal : Ebj. 37: 131-41. PMID 17551722 DOI: 10.1007/S00249-007-0185-8 |
0.312 |
|
| 2007 |
Tai K, Baaden M, Murdock S, Wu B, Ng MH, Johnston S, Boardman R, Fangohr H, Cox K, Essex JW, Sansom MSP. Three hydrolases and a transferase: Comparative analysis of active-site dynamics via the BioSimGrid database Journal of Molecular Graphics and Modelling. 25: 896-902. PMID 17011806 DOI: 10.1016/J.Jmgm.2006.08.010 |
0.312 |
|
| 2005 |
Law RJ, Capener C, Baaden M, Bond PJ, Campbell J, Patargias G, Arinaminpathy Y, Sansom MS. Membrane protein structure quality in molecular dynamics simulation. Journal of Molecular Graphics & Modelling. 24: 157-65. PMID 16102990 DOI: 10.1016/J.Jmgm.2005.05.006 |
0.323 |
|
| 2004 |
Faraldo-Gómez JD, Forrest LR, Baaden M, Bond PJ, Domene C, Patargias G, Cuthbertson J, Sansom MS. Conformational sampling and dynamics of membrane proteins from 10-nanosecond computer simulations. Proteins. 57: 783-91. PMID 15317024 DOI: 10.1002/Prot.20257 |
0.339 |
|
| 2004 |
Baaden M, Sansom MS. OmpT: molecular dynamics simulations of an outer membrane enzyme. Biophysical Journal. 87: 2942-53. PMID 15315948 DOI: 10.1529/Biophysj.104.046987 |
0.385 |
|
| 2003 |
Baaden M, Meier C, Sansom MS. A molecular dynamics investigation of mono and dimeric states of the outer membrane enzyme OMPLA. Journal of Molecular Biology. 331: 177-89. PMID 12875844 DOI: 10.1016/S0022-2836(03)00718-6 |
0.338 |
|
| 2003 |
Campbell JD, Biggin PC, Baaden M, Sansom MS. Extending the structure of an ABC transporter to atomic resolution: modeling and simulation studies of MsbA. Biochemistry. 42: 3666-73. PMID 12667056 DOI: 10.1021/Bi027337T |
0.363 |
|
| 2003 |
Baaden M, Berny F, Madic C, Schurhammer R, Wipff G. Theoretical Studies on Lanthanide Cation Extraction by Picolinamides: Ligand–Cation Interactions and Interfacial Behavior Solvent Extraction and Ion Exchange. 21: 199-220. DOI: 10.1081/Sei-120018946 |
0.737 |
|
| 2002 |
Baaden M, Schurhammer R, Wipff G. Molecular Dynamics Study of the Uranyl Extraction by Tri-n-butylphosphate (TBP): Demixing of Water/“Oil”/TBP Solutions with a Comparison of Supercritical CO2and Chloroform The Journal of Physical Chemistry B. 106: 434-441. DOI: 10.1021/Jp0123785 |
0.567 |
|
| 2001 |
Baaden M, Burgard M, Boehme C, Wipff G. Lanthanide cation binding to a phosphoryl-calix[4]arene: The importance of solvent and counterions investigated by molecular dynamics and quantum mechanical simulations Physical Chemistry Chemical Physics. 3: 1317-1325. DOI: 10.1039/B009859K |
0.649 |
|
| 2001 |
Baaden M, Burgard aM, Wipff G. TBP at the Water−Oil Interface: The Effect of TBP Concentration and Water Acidity Investigated by Molecular Dynamics Simulations Journal of Physical Chemistry B. 105: 11131-11141. DOI: 10.1021/Jp011890N |
0.578 |
|
| 2001 |
Baaden M, Berny F, Wipff G. The chloroform / TBP / aqueous nitric acid interfacial system: a molecular dynamics investigation Journal of Molecular Liquids. 90: 1-9. DOI: 10.1016/S0167-7322(00)00174-4 |
0.745 |
|
| 2000 |
Lambert B, Jacques V, Shivanyuk A, Matthews SE, Tunayar A, Baaden M, Wipff G, Böhmer V, Desreux JF. Calix[4]arenes as selective extracting agents. An NMR dynamic and conformational investigation of the lanthanide(III) and thorium(IV) complexes. Inorganic Chemistry. 39: 2033-41. PMID 12526509 DOI: 10.1021/Ic990683N |
0.609 |
|
| 2000 |
Troxler L, Baaden M, Böhmer V, Wipff G. Complexation of M3+ Lanthanide Cations by Calix[4]arene-CMPO Ligands: A Molecular Dynamics Study in Methanol Solution and at a Water/Chloroform Interface Supramolecular Chemistry. 12: 27-51. DOI: 10.1080/10610270008029803 |
0.645 |
|
| 2000 |
Baaden M, Wipff G, Yaftian MR, Burgard M, Matt D. Cation coordination by calix[4]arenes bearing amide and/or phosphine oxide pendant groups: how many arms are needed to bind Li+vs. Na+? A combined NMR and molecular dynamics study Journal of the Chemical Society-Perkin Transactions 1. 1315-1322. DOI: 10.1039/B000019L |
0.601 |
|
| 2000 |
Baaden M, Berny F, Madic C, Wipff G. M3+Lanthanide Cation Solvation by Acetonitrile: The Role of Cation Size, Counterions, and Polarization Effects Investigated by Molecular Dynamics and Quantum Mechanical Simulations The Journal of Physical Chemistry A. 104: 7659-7671. DOI: 10.1021/Jp001352V |
0.75 |
|
| 2000 |
Baaden M, Berny F, Boehme C, Muzet N, Schurhammer R, Wipff G. Interaction of trivalent lanthanide cations with phosphoryl derivatives, amide, anisole, pyridine and triazine ligands : A quantum mechanics study Journal of Alloys and Compounds. 303: 104-111. DOI: 10.1016/S0925-8388(00)00657-5 |
0.691 |
|
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