| Biasing reaction pathways with mechanical force CR Hickenboth, JS Moore, SR White, NR Sottos, J Baudry, SR Wilson Nature 446 (7134), 423-427, 2007 | 861 | 2007 |
| Steered molecular dynamics investigations of protein function B Isralewitz, J Baudry, J Gullingsrud, D Kosztin, K Schulten Journal of Molecular Graphics and Modelling 19 (1), 13-25, 2001 | 426 | 2001 |
| Ensemble docking in drug discovery RE Amaro, J Baudry, J Chodera, Ö Demir, JA McCammon, Y Miao, ... Biophysical journal 114 (10), 2271-2278, 2018 | 386 | 2018 |
| Human TLRs 10 and 1 share common mechanisms of innate immune sensing but not signaling Y Guan, DRE Ranoa, S Jiang, SK Mutha, X Li, J Baudry, RI Tapping The Journal of Immunology 184 (9), 5094-5103, 2010 | 323 | 2010 |
| Structural and functional divergence of insect CYP6B proteins: from specialist to generalist cytochrome P450 X Li, J Baudry, MR Berenbaum, MA Schuler Proceedings of the National Academy of Sciences 101 (9), 2939-2944, 2004 | 317 | 2004 |
| Classical force field parameters for the heme prosthetic group of cytochrome c F Autenrieth, E Tajkhorshid, J Baudry, Z Luthey‐Schulten Journal of computational chemistry 25 (13), 1613-1622, 2004 | 227 | 2004 |
| Supercomputer-based ensemble docking drug discovery pipeline with application to COVID-19 A Acharya, R Agarwal, MB Baker, J Baudry, D Bhowmik, S Boehm, ... Journal of chemical information and modeling 60 (12), 5832-5852, 2020 | 156 | 2020 |
| Oligomerization and fibril assembly of the amyloid-β protein AE Roher, J Baudry, MO Chaney, YM Kuo, WB Stine, MR Emmerling Biochimica et Biophysica Acta (BBA)-Molecular Basis of Disease 1502 (1), 31-43, 2000 | 153 | 2000 |
| Molecular dynamics study of the nature and origin of retinal's twisted structure in bacteriorhodopsin E Tajkhorshid, J Baudry, K Schulten, S Suhai Biophysical Journal 78 (2), 683-693, 2000 | 136 | 2000 |
| Molecular dynamics study of bacteriorhodopsin and the purple membrane J Baudry, E Tajkhorshid, F Molnar, J Phillips, K Schulten The Journal of Physical Chemistry B 105 (5), 905-918, 2001 | 132 | 2001 |
| Molecular basis for the subtype discrimination of the estrogen receptor-β-selective ligand, diarylpropionitrile J Sun, J Baudry, JA Katzenellenbogen, BS Katzenellenbogen Molecular endocrinology 17 (2), 247-258, 2003 | 131 | 2003 |
| A survey of aspartate− phenylalanine and glutamate− phenylalanine interactions in the protein data bank: Searching for anion− π pairs V Philip, J Harris, R Adams, D Nguyen, J Spiers, J Baudry, EE Howell, ... Biochemistry 50 (14), 2939-2950, 2011 | 129 | 2011 |
| Evidence for osteocalcin binding and activation of GPRC6A in β-cells M Pi, K Kapoor, R Ye, SK Nishimoto, JC Smith, J Baudry, LD Quarles Endocrinology 157 (5), 1866-1880, 2016 | 118 | 2016 |
| Reviving antibiotics: efflux pump inhibitors that interact with AcrA, a membrane fusion protein of the AcrAB-TolC multidrug efflux pump N Abdali, JM Parks, KM Haynes, JL Chaney, AT Green, D Wolloscheck, ... ACS infectious diseases 3 (1), 89-98, 2017 | 108 | 2017 |
| Arabidopsis thaliana NIP7;1: An Anther-Specific Boric Acid Transporter of the Aquaporin Superfamily Regulated by an Unusual Tyrosine in Helix 2 of the Transport … T Li, WG Choi, IS Wallace, J Baudry, DM Roberts Biochemistry 50 (31), 6633-6641, 2011 | 89 | 2011 |
| Ensemble docking in drug discovery: how many protein configurations from molecular dynamics simulations are needed to reproduce known ligand binding? W Evangelista Falcon, SR Ellingson, JC Smith, J Baudry The Journal of Physical Chemistry B 123 (25), 5189-5195, 2019 | 87 | 2019 |
| Key role of active-site water molecules in bacteriorhodopsin proton-transfer reactions AN Bondar, J Baudry, S Suhai, S Fischer, JC Smith The Journal of Physical Chemistry B 112 (47), 14729-14741, 2008 | 82 | 2008 |
| Multi-conformer ensemble docking to difficult protein targets SR Ellingson, Y Miao, J Baudry, JC Smith The Journal of Physical Chemistry B 119 (3), 1026-1034, 2015 | 79 | 2015 |
| Common active site architecture and binding strategy of four phenylpropanoid P450s from Arabidopsis thaliana as revealed by molecular modeling S Rupasinghe, J Baudry, MA Schuler Protein Engineering 16 (10), 721-731, 2003 | 78 | 2003 |
| Molecular docking of substrates and inhibitors in the catalytic site of CYP6B1, an insect cytochrome P450 monooxygenase J Baudry, W Li, L Pan, MR Berenbaum, MA Schuler Protein Engineering 16 (8), 577-587, 2003 | 78 | 2003 |
Jeremy C SmithUniversity of Tennessee KnoxvilleGeverifieerd e-mailadres voor ornl.gov
