| Molecular Simulation of ab Initio Protein Folding for a Millisecond Folder NTL9(1−39) VA Voelz, GR Bowman, K Beauchamp, VS Pande Journal of the American Chemical Society 132 (5), 1526-1528, 2010 | 624 | 2010 |
| The protein folding problem: when will it be solved? KA Dill, SB Ozkan, TR Weikl, JD Chodera, VA Voelz Current opinion in structural biology 17 (3), 342-346, 2007 | 353 | 2007 |
| SARS-CoV-2 simulations go exascale to capture spike opening and reveal cryptic pockets across the proteome MI Zimmerman, G Bowman Biophysical Journal 120 (3), 299a, 2021 | 261* | 2021 |
| Markov state model reveals folding and functional dynamics in ultra-long MD trajectories TJ Lane, GR Bowman, K Beauchamp, VA Voelz, VS Pande Journal of the American Chemical Society 133 (45), 18413-18419, 2011 | 203 | 2011 |
| Taming the complexity of protein folding GR Bowman, VA Voelz, VS Pande Current opinion in structural biology 21 (1), 4-11, 2011 | 203 | 2011 |
| SARS-CoV-2 infects the human kidney and drives fibrosis in kidney organoids J Jansen, KC Reimer, JS Nagai, FS Varghese, GJ Overheul, M de Beer, ... Cell stem cell 29 (2), 217-231. e8, 2022 | 183 | 2022 |
| Atomistic Folding Simulations of the Five-Helix Bundle Protein λ6−85 GR Bowman, VA Voelz, VS Pande Journal of the American Chemical Society 133 (4), 664-667, 2011 | 180 | 2011 |
| Slow unfolded-state structuring in Acyl-CoA binding protein folding revealed by simulation and experiment VA Voelz, M Jäger, S Yao, Y Chen, L Zhu, SA Waldauer, GR Bowman, ... Journal of the American Chemical Society 134 (30), 12565-12577, 2012 | 166 | 2012 |
| Unfolded-state dynamics and structure of protein L characterized by simulation and experiment VA Voelz, VR Singh, WJ Wedemeyer, LJ Lapidus, VS Pande Journal of the American Chemical Society 132 (13), 4702-4709, 2010 | 112 | 2010 |
| De novo structure prediction and experimental characterization of folded peptoid oligomers GL Butterfoss, B Yoo, JN Jaworski, I Chorny, KA Dill, RN Zuckermann, ... Proceedings of the National Academy of Sciences 109 (36), 14320-14325, 2012 | 106 | 2012 |
| Bridging microscopic and macroscopic mechanisms of p53-MDM2 binding with kinetic network models G Zhou, GA Pantelopulos, S Mukherjee, VA Voelz Biophysical journal 113 (4), 785-793, 2017 | 92 | 2017 |
| Peptoid conformational free energy landscapes from implicit‐solvent molecular simulations in AMBER VA Voelz, KA Dill, I Chorny Peptide Science 96 (5), 639-650, 2011 | 70 | 2011 |
| A molecular interpretation of 2D IR protein folding experiments with Markov state models CR Baiz, YS Lin, CS Peng, KA Beauchamp, VA Voelz, VS Pande, ... Biophysical journal 106 (6), 1359-1370, 2014 | 59 | 2014 |
| Computational screening and selection of cyclic peptide hairpin mimetics by molecular simulation and kinetic network models AM Razavi, WM Wuest, VA Voelz Journal of chemical information and modeling 54 (5), 1425-1432, 2014 | 55 | 2014 |
| Blind test of physics-based prediction of protein structures MS Shell, SB Ozkan, V Voelz, GA Wu, KA Dill Biophysical journal 96 (3), 917-924, 2009 | 55 | 2009 |
| Molecular dynamics simulation of site-directed spin labeling: experimental validation in muscle fibers LEW LaConte, V Voelz, W Nelson, M Enz, DD Thomas Biophysical journal 83 (4), 1854-1866, 2002 | 55 | 2002 |
| Molecular simulation of conformational pre-organization in cyclic RGD peptides AE Wakefield, WM Wuest, VA Voelz Journal of chemical information and modeling 55 (4), 806-813, 2015 | 52 | 2015 |
| A maximum-caliber approach to predicting perturbed folding kinetics due to mutations H Wan, G Zhou, VA Voelz Journal of chemical theory and computation 12 (12), 5768-5776, 2016 | 51 | 2016 |
| Assigning confidence to molecular property prediction AK Nigam, R Pollice, MFD Hurley, RJ Hickman, M Aldeghi, N Yoshikawa, ... Expert opinion on drug discovery 16 (9), 1009-1023, 2021 | 50 | 2021 |
| COVID moonshot: open science discovery of SARS-CoV-2 main protease inhibitors by combining crowdsourcing, high-throughput experiments, computational simulations, and machine … H Achdout, A Aimon, E Bar-David, GM Morris BioRxiv, 2020 | 49 | 2020 |
Vijay PandeAndreessen Horowitz, Stanford University在 stanford.edu 的电子邮件经过验证
