| OpenMM 7: Rapid development of high performance algorithms for molecular dynamics P Eastman, J Swails, JD Chodera, RT McGibbon, Y Zhao, KA Beauchamp, ... PLoS computational biology 13 (7), e1005659, 2017 | 2290 | 2017 |
| MDTraj: a modern open library for the analysis of molecular dynamics trajectories RT McGibbon, KA Beauchamp, MP Harrigan, C Klein, JM Swails, ... Biophysical journal 109 (8), 1528-1532, 2015 | 1961 | 2015 |
| OpenMM 4: a reusable, extensible, hardware independent library for high performance molecular simulation P Eastman, MS Friedrichs, JD Chodera, RJ Radmer, CM Bruns, JP Ku, ... Journal of chemical theory and computation 9 (1), 461-469, 2013 | 723 | 2013 |
| Building force fields: An automatic, systematic, and reproducible approach LP Wang, TJ Martinez, VS Pande The journal of physical chemistry letters 5 (11), 1885-1891, 2014 | 556 | 2014 |
| Discovering chemistry with an ab initio nanoreactor LP Wang, A Titov, R McGibbon, F Liu, VS Pande, TJ Martínez Nature chemistry 6 (12), 1044-1048, 2014 | 399 | 2014 |
| The diabatic picture of electron transfer, reaction barriers, and molecular dynamics T Van Voorhis, T Kowalczyk, B Kaduk, LP Wang, CL Cheng, Q Wu Annual review of physical chemistry 61 (1), 149-170, 2010 | 381 | 2010 |
| Systematic improvement of a classical molecular model of water LP Wang, T Head-Gordon, JW Ponder, P Ren, JD Chodera, PK Eastman, ... The Journal of Physical Chemistry B 117 (34), 9956-9972, 2013 | 367 | 2013 |
| TeraChem: A graphical processing unit‐accelerated electronic structure package for large‐scale ab initio molecular dynamics S Seritan, C Bannwarth, BS Fales, EG Hohenstein, CM Isborn, ... Wiley Interdisciplinary Reviews: Computational Molecular Science 11 (2), e1494, 2021 | 268 | 2021 |
| Building a more predictive protein force field: a systematic and reproducible route to AMBER-FB15 LP Wang, KA McKiernan, J Gomes, KA Beauchamp, T Head-Gordon, ... The Journal of Physical Chemistry B 121 (16), 4023-4039, 2017 | 253 | 2017 |
| Revised parameters for the AMOEBA polarizable atomic multipole water model ML Laury, LP Wang, VS Pande, T Head-Gordon, JW Ponder The Journal of Physical Chemistry B 119 (29), 9423-9437, 2015 | 241 | 2015 |
| Systematic parametrization of polarizable force fields from quantum chemistry data LP Wang, J Chen, T Van Voorhis Journal of chemical theory and computation 9 (1), 452-460, 2013 | 233 | 2013 |
| Geometry optimization made simple with translation and rotation coordinates LP Wang, C Song The Journal of chemical physics 144 (21), 2016 | 232 | 2016 |
| Direct-Coupling O2 Bond Forming a Pathway in Cobalt Oxide Water Oxidation Catalysts LP Wang, T Van Voorhis The Journal of Physical Chemistry Letters 2 (17), 2200-2204, 2011 | 225 | 2011 |
| Acid− base mechanism for ruthenium water oxidation catalysts LP Wang, Q Wu, T Van Voorhis Inorganic chemistry 49 (10), 4543-4553, 2010 | 180 | 2010 |
| Non-bonded force field model with advanced restrained electrostatic potential charges (RESP2) M Schauperl, PS Nerenberg, H Jang, LP Wang, CI Bayly, DL Mobley, ... Communications chemistry 3 (1), 44, 2020 | 177 | 2020 |
| What can density functional theory tell us about artificial catalytic water splitting? MG Mavros, T Tsuchimochi, T Kowalczyk, A McIsaac, LP Wang, ... Inorganic chemistry 53 (13), 6386-6397, 2014 | 174 | 2014 |
| Single-cell electroporation arrays with real-time monitoring and feedback control M Khine, C Ionescu-Zanetti, A Blatz, LP Wang, LP Lee Lab on a Chip 7 (4), 457-462, 2007 | 152 | 2007 |
| Development and benchmarking of open force field v1. 0.0—the parsley small-molecule force field Y Qiu, DGA Smith, S Boothroyd, H Jang, DF Hahn, J Wagner, CC Bannan, ... Journal of chemical theory and computation 17 (10), 6262-6280, 2021 | 138 | 2021 |
| Automated discovery and refinement of reactive molecular dynamics pathways LP Wang, RT McGibbon, VS Pande, TJ Martinez Journal of chemical theory and computation 12 (2), 638-649, 2016 | 138 | 2016 |
| Calculations of the electric fields in liquid solutions SD Fried, LP Wang, SG Boxer, P Ren, VS Pande The Journal of Physical Chemistry B 117 (50), 16236-16248, 2013 | 115 | 2013 |
Vijay PandeAndreessen Horowitz, Stanford Universityایمیل تأیید شده در stanford.edu
