Vijay Pande

Citée par

	Toutes	Depuis 2019
Citations	64559	33592
indice h	120	73
indice i10	336	237

7000

3500

1750

5250

19992000200120022003200420052006200720082009201020112012201320142015201620172018201920202021202220232024160 178 246 307 487 677 821 976 1108 1333 1342 1768 1834 1984 2081 2424 2474 2688 3014 4182 4274 5023 5590 6012 6409 6271

Accès public

Tout afficher

204 articles

7 articles

disponibles

non disponibles

Sur la base des exigences liées au financement

Coauteurs

Kyle A. BeauchampStanford, Tempus,Adresse e-mail validée de tempus.com
Gregory R. BowmanProfessor, University of PennsylvaniaAdresse e-mail validée de seas.upenn.edu
Lee-Ping WangDepartment of Chemistry, UC DavisAdresse e-mail validée de ucdavis.edu
Christopher D. SnowProfessor of Chemical and Biological Engineering, Colorado State UniversityAdresse e-mail validée de colostate.edu
Michael R. ShirtsProfessor of Chemical and Biological Engineering, University of Colorado BoulderAdresse e-mail validée de colorado.edu
Robert T. McGibbonD.E. Shaw ResearchAdresse e-mail validée de DEShawResearch.com
Alexander Y GrosbergProfessor of Physics, New York UniversityAdresse e-mail validée de nyu.edu
John D. ChoderaMemorial Sloan-Kettering Cancer CenterAdresse e-mail validée de mskcc.org
Bharath RamsundarDeep Forest Sciences, DeepChem, previously Computable, previously StanfordAdresse e-mail validée de stanford.edu
Diwakar ShuklaAssociate Professor, University of Illinois at Urbana-ChampaignAdresse e-mail validée de illinois.edu
Bojan ZagrovicAdresse e-mail validée de univie.ac.at
Christian SchwantesPreviously: Stanford UniversityAdresse e-mail validée de stanford.edu
Evan N. FeinbergStanford UniversityAdresse e-mail validée de stanford.edu
Joe GomesUniversity of IowaAdresse e-mail validée de uiowa.edu
TJ LaneGroup Leader, DESYAdresse e-mail validée de desy.de
Young Min RheeKorea Advanced Institute of Science and TechnologyAdresse e-mail validée de kaist.ac.kr
Brooke E. HusicPrinceton UniversityAdresse e-mail validée de princeton.edu
Peter KassonProfessor, Georgia Tech and University of Virginia and Wallenberg Academy Fellow, Uppsala UniversityAdresse e-mail validée de gatech.edu
Mohammad Muneeb SultanabsciAdresse e-mail validée de absci.com
Matthew P. HarriganGoogle ResearchAdresse e-mail validée de google.com

Suivre

Vijay Pande

Andreessen Horowitz, Stanford University

Adresse e-mail validée de stanford.edu - Page d'accueil

AI protein folding drug design statistical mechanics


Titre Trier par citations Trier par année Trier par titre	Citée par Citée par	Année
CHARMM-GUI input generator for NAMD, GROMACS, AMBER, OpenMM, and CHARMM/OpenMM simulations using the CHARMM36 additive force field J Lee, X Cheng, S Jo, AD MacKerell, JB Klauda, W Im Biophysical journal 110 (3), 641a, 2016	3352	2016
MoleculeNet: a benchmark for molecular machine learning Z Wu, B Ramsundar, EN Feinberg, J Gomes, C Geniesse, AS Pappu, ... Chemical science 9 (2), 513-530, 2018	2860	2018
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
Molecular graph convolutions: moving beyond fingerprints S Kearnes, K McCloskey, M Berndl, V Pande, P Riley Journal of computer-aided molecular design 30, 595-608, 2016	1828	2016
Strategies for pre-training graph neural networks W Hu, B Liu, J Gomes, M Zitnik, P Liang, V Pande, J Leskovec arXiv preprint arXiv:1905.12265, 2019	1559	2019
Current status of the AMOEBA polarizable force field JW Ponder, C Wu, P Ren, VS Pande, JD Chodera, MJ Schnieders, ... The journal of physical chemistry B 114 (8), 2549-2564, 2010	1502	2010
Graph convolutional policy network for goal-directed molecular graph generation J You, B Liu, Z Ying, V Pande, J Leskovec Advances in neural information processing systems 31, 2018	1117	2018
Low data drug discovery with one-shot learning H Altae-Tran, B Ramsundar, AS Pappu, V Pande ACS central science 3 (4), 283-293, 2017	895	2017
Absolute comparison of simulated and experimental protein-folding dynamics CD Snow, H Nguyen, VS Pande, M Gruebele nature 420 (6911), 102-106, 2002	829	2002
Random-coil behavior and the dimensions of chemically unfolded proteins JE Kohn, IS Millett, J Jacob, B Zagrovic, TM Dillon, N Cingel, RS Dothager, ... Proceedings of the National Academy of Sciences 101 (34), 12491-12496, 2004	823	2004
Exploring the helix-coil transition via all-atom equilibrium ensemble simulations EJ Sorin, VS Pande Biophysical journal 88 (4), 2472-2493, 2005	815	2005
Everything you wanted to know about Markov State Models but were afraid to ask VS Pande, K Beauchamp, GR Bowman Methods 52 (1), 99-105, 2010	813	2010
Markov state models: From an art to a science BE Husic, VS Pande Journal of the American Chemical Society 140 (7), 2386-2396, 2018	792	2018
Extremely precise free energy calculations of amino acid side chain analogs: Comparison of common molecular mechanics force fields for proteins MR Shirts, JW Pitera, WC Swope, VS Pande The Journal of chemical physics 119 (11), 5740-5761, 2003	771	2003
Automatic discovery of metastable states for the construction of Markov models of macromolecular conformational dynamics JD Chodera, N Singhal, VS Pande, KA Dill, WC Swope The Journal of chemical physics 126 (15), 2007	753	2007
Screen savers of the world unite! M Shirts, VS Pande Science 290 (5498), 1903-1904, 2000	736	2000
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
Deep learning for the life sciences: applying deep learning to genomics, microscopy, drug discovery, and more B Ramsundar, P Eastman, P Walters, V Pande " O'Reilly Media, Inc.", 2019	710*	2019
Accelerating molecular dynamic simulation on graphics processing units MS Friedrichs, P Eastman, V Vaidyanathan, M Houston, S Legrand, ... Journal of computational chemistry 30 (6), 864-872, 2009	691	2009

Le système ne peut pas réaliser cette opération maintenant. Veuillez réessayer plus tard.

Articles 1–20

Nombre de citations par an

Citations en double

Citations fusionnées

Ajouter les coauteursCoauteurs

Suivre

Citée par

Coauteurs