Lee-Ping Wang
Lee-Ping Wang
Department of Chemistry, UC Davis
Adresse e-mail validée de ucdavis.edu - Page d'accueil
TitreCitée parAnnée
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
4972015
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
4362013
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, 149-170, 2010
2662010
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
2392017
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
2352013
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
1852014
Discovering chemistry with an ab initio nanoreactor
LP Wang, A Titov, R McGibbon, F Liu, VS Pande, TJ Martínez
Nature chemistry 6 (12), 1044, 2014
1622014
Acid− Base Mechanism for Ruthenium Water Oxidation Catalysts
LP Wang, Q Wu, T Van Voorhis
Inorganic chemistry 49 (10), 4543-4553, 2010
1412010
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
1382011
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
1182015
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
1182007
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
1072013
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
912017
Molecular insight into the energy levels at the organic donor/acceptor interface: A quantum mechanics/molecular mechanics study
SR Yost, LP Wang, T Van Voorhis
The Journal of Physical Chemistry C 115 (29), 14431-14436, 2011
892011
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
862014
Electronic properties of disordered organic semiconductors via QM/MM simulations
S Difley, LP Wang, S Yeganeh, SR Yost, TV Voorhis
Accounts of chemical research 43 (7), 995-1004, 2010
862010
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
672013
Modeling organochlorine compounds and the σ-hole effect using a polarizable multipole force field
X Mu, Q Wang, LP Wang, SD Fried, JP Piquemal, KN Dalby, P Ren
The Journal of Physical Chemistry B 118 (24), 6456-6465, 2014
592014
A polarizable QM/MM explicit solvent model for computational electrochemistry in water
LP Wang, T Van Voorhis
Journal of chemical theory and computation 8 (2), 610-617, 2012
552012
Advanced potential energy surfaces for molecular simulation
A Albaugh, HA Boateng, RT Bradshaw, ON Demerdash, J Dziedzic, ...
The Journal of Physical Chemistry B 120 (37), 9811-9832, 2016
532016
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