Vijay S. Pande
发表
Peter M. Kasson,
Vijay S. Pande,
V. Pande,
2010,
Pacific Symposium on Biocomputing.
Eric Darve,
Pat Hanrahan,
Erich Elsen,
2006,
SC.
Vijay S. Pande,
Michael R. Shirts,
M. Shirts,
2000,
Science.
Decision functions from supervised machine learning algorithms as collective variables for accelerating molecular simulations
pdf
Vijay S. Pande,
Mohammad M. Sultan,
V. Pande,
2018,
ArXiv.
Peter M. Kasson,
Vijay S. Pande,
Erik Lindahl,
2010,
PLoS Comput. Biol..
Vijay S. Pande,
Joseph Gomes,
Keri A. McKiernan,
2019,
1910.10675.
Vijay S. Pande,
Carlos X. Hernández,
Carlos X. Hernández,
2016
.
Leonidas J. Guibas,
Vijay S. Pande,
Gunnar E. Carlsson,
2013,
BMC Bioinformatics.
Vijay S. Pande,
Steven M. Kearnes,
Imran S. Haque,
2014,
J. Chem. Inf. Model..
Diwakar Shukla,
Vijay S. Pande,
Morgan Lawrenz,
2015,
Scientific Reports.
Leonidas J. Guibas,
Afra Zomorodian,
Peter M. Kasson,
2022
.
Vijay S. Pande,
Imran S. Haque,
Kyle A. Beauchamp,
2014,
bioRxiv.
Vijay S. Pande,
Vaidyanathan Vishal,
Mike Houston,
2009,
J. Comput. Chem..
Vijay S. Pande,
Eric J. Sorin,
V. Pande,
2005,
J. Comput. Chem..
Vijay S. Pande,
Gunnar E. Carlsson,
Huang-Wei Chang,
2013,
PloS one.
Vijay S. Pande,
Imran S. Haque,
2011
.
Vijay S. Pande,
Stefan M. Larson,
Christopher D. Snow,
2009,
0901.0866.
Vijay S. Pande,
Eric J. Sorin,
Christopher D. Snow,
2008
.
Robert T. McGibbon,
Vijay S. Pande,
Matthew P. Harrigan,
2016
.
Vijay S. Pande,
Adam L. Beberg,
Daniel L. Ensign,
2009,
2009 IEEE International Symposium on Parallel & Distributed Processing.
Vijay S. Pande,
Anton V. Sinitskiy,
2017
.
Robert T. McGibbon,
Vijay S. Pande,
Carlos X. Hernández,
2014,
bioRxiv.
Eric Darve,
Pat Hanrahan,
Erich Elsen,
2007,
ArXiv.
Vijay S. Pande,
Bharath Ramsundar,
Peter Eastman,
2018,
PLoS Comput. Biol..
Peter M. Kasson,
Vijay S. Pande,
V. Pande,
2007,
PLoS Comput. Biol..
Vijay S. Pande,
Carlos X. Hernández,
2017,
J. Open Source Softw..
Vijay S. Pande,
Serafim Batzoglou,
Nina Singhal Hinrichs,
2007
.
Vijay S. Pande,
Rhiju Das,
Jade Shi,
2018,
ArXiv.
Vijay S. Pande,
Matthew P. Harrigan,
V. Pande,
2017,
bioRxiv.
Diwakar Shukla,
Vijay S. Pande,
Mohammad M. Sultan,
2014,
Journal of chemical theory and computation.
Jure Leskovec,
Vijay S. Pande,
Jiaxuan You,
2018,
NeurIPS.
Amir Barati Farimani,
Vijay S. Pande,
Joseph Gomes,
2018,
ArXiv.
Constructing Multi-Resolution Markov State Models (MSMs) to Elucidate RNA Hairpin Folding Mechanisms
Leonidas J. Guibas,
Yuan Yao,
Vijay S. Pande,
2010,
Pacific Symposium on Biocomputing.
Teri E. Klein,
Vijay S. Pande,
Sanghyun Park,
2005,
J. Comput. Chem..
Vijay S. Pande,
Steven Kearnes,
V. Pande,
2016,
Journal of Computer-Aided Molecular Design.
Vijay S. Pande,
W. Patrick Walters,
Imran S. Haque,
2010,
J. Chem. Inf. Model..
Vijay S. Pande,
Mohammad M. Sultan,
V. Pande,
2017,
bioRxiv.
Vijay S. Pande,
Imran S. Haque,
V. Pande,
2009,
2010 10th IEEE/ACM International Conference on Cluster, Cloud and Grid Computing.
Vijay S. Pande,
Peter Eastman,
V. Pande,
2016,
bioRxiv.
Vijay S. Pande,
Christian R. Schwantes,
V. Pande,
2015,
Journal of chemical theory and computation.
Amir Barati Farimani,
Vijay S. Pande,
Peter Eastman,
2018,
ArXiv.
Vijay S. Pande,
Hannah K. Wayment-Steele,
V. Pande,
2018,
The Journal of chemical physics.
Vijay S. Pande,
Adam L. Beberg,
2007,
2007 IEEE International Parallel and Distributed Processing Symposium.
Vijay S. Pande,
Matthew P. Harrigan,
Mohammad M. Sultan,
2017,
J. Open Source Softw..
Vijay S. Pande,
Adam L. Beberg,
2009,
2009 IEEE International Symposium on Parallel & Distributed Processing.
Vijay S. Pande,
Mohammad M. Sultan,
V. Pande,
2017
.
Vijay S. Pande,
Rhiju Das,
Kyle A. Beauchamp,
2014
.
Vijay S. Pande,
Imran S. Haque,
2010,
J. Chem. Inf. Model..
Russ B. Altman,
Diwakar Shukla,
Vijay S. Pande,
2014
.
Peter M. Kasson,
Vijay S. Pande,
V. Pande,
2006,
Pacific Symposium on Biocomputing.
Vijay S. Pande,
Vaidyanathan Vishal,
Mike Houston,
2009,
J. Comput. Chem..
Vijay S. Pande,
Mohammad M. Sultan,
V. Pande,
2017,
The journal of physical chemistry. B.
Amir Barati Farimani,
Vijay S. Pande,
Joseph Gomes,
2017,
ArXiv.
Russ B. Altman,
Vijay S. Pande,
Joy P. Ku,
2012,
J. Am. Medical Informatics Assoc..
Robert T. McGibbon,
Vijay S. Pande,
Matthew P. Harrigan,
2016,
J. Open Source Softw..
Frank Noé,
Vijay S. Pande,
Gregory R. Bowman,
2014,
Advances in Experimental Medicine and Biology.
Vijay S. Pande,
2014
.
Vijay S. Pande,
Peter Eastman,
V. Pande,
2010,
Computing in Science & Engineering.
Vijay S. Pande,
Kyle A. Beauchamp,
Gregory R. Bowman,
2010,
Methods.
Vijay S. Pande,
Bharath Ramsundar,
Joseph Gomes,
2017,
Chemical science.
Vijay S. Pande,
Bharath Ramsundar,
V. Pande,
2016,
ArXiv.
Peter M. Kasson,
Vijay S. Pande,
V. Pande,
2003,
Computational Systems Bioinformatics. CSB2003. Proceedings of the 2003 IEEE Bioinformatics Conference. CSB2003.
Vijay S. Pande,
Alex Robertson,
Edgar Luttmann,
2008,
J. Comput. Chem..
Vijay S. Pande,
Imran S. Haque,
2011,
J. Chem. Inf. Model..
Vijay S. Pande,
Mohammad M. Sultan,
Carlos X. Hernández,
2018,
ArXiv.
Peter M. Kasson,
Vijay S. Pande,
V. Pande,
2008,
Pacific Symposium on Biocomputing.
Vijay S. Pande,
Adam L. Beberg,
V. Pande,
2010
.
Yang Li,
Vijay S. Pande,
Brooke E. Husic,
2018,
ACS central science.
Vijay S. Pande,
Peter Eastman,
2012
.
Vijay S. Pande,
Joseph Gomes,
Bharath Ramsundar,
2017,
ArXiv.
Vijay S. Pande,
Peter Eastman,
V. Pande,
2010,
J. Comput. Chem..
Peter M. Kasson,
Vijay S. Pande,
Berk Hess,
2011,
2011 International Conference for High Performance Computing, Networking, Storage and Analysis (SC).
Vijay S. Pande,
Michael J. Schnieders,
Timothy D. Fenn,
2012
.
Vijay S. Pande,
Patrick Riley,
Bharath Ramsundar,
2015,
ArXiv.
Vijay S. Pande,
Alan C. Cheng,
Robert Sheridan,
2019,
ArXiv.
Vijay S. Pande,
Christopher D. Snow,
Del Lucent,
2010,
PLoS Comput. Biol..
Vijay S. Pande,
Patrick Riley,
Steven M. Kearnes,
2016,
Journal of Computer-Aided Molecular Design.
Vijay S. Pande,
Rhiju Das,
Kyle A. Beauchamp,
2014
.
Vijay S. Pande,
Ken A. Dill,
Jason A. Wagoner,
2015
.
Vijay S. Pande,
Vincent A. Voelz,
P. Petrone,
2008,
Pacific Symposium on Biocomputing.
Vijay S. Pande,
Bharath Ramsundar,
Aneesh S. Pappu,
2016,
ACS central science.
Robert T. McGibbon,
Vijay S. Pande,
Matthew P. Harrigan,
2016
.
Vijay S. Pande,
Ingo Ruczinski,
Kevin W. Plaxco,
2005
.
Vijay S. Pande,
Imran S. Haque,
2010,
J. Comput. Chem..
Stefano Ermon,
Vijay S. Pande,
Rishi Sharma,
2018,
ArXiv.
Bowen Liu,
Vijay S. Pande,
Joseph Gomes,
2017,
ACS central science.
Vijay S. Pande,
Carlos X. Hernández,
Hannah K. Wayment-Steele,
2018,
bioRxiv.
Vijay S. Pande,
W. Patrick Walters,
Imran S. Haque,
2011,
J. Chem. Inf. Model..
Jeanette P. Schmidt,
Russ B. Altman,
Vijay S. Pande,
2008,
Proceedings of the IEEE.
Diwakar Shukla,
Vijay S. Pande,
Carlos X. Hernández,
2015,
Accounts of chemical research.
Vijay S. Pande,
Baofeng Zhang,
Emilio Gallicchio,
2017,
J. Comput. Chem..
Vijay S. Pande,
Bharath Ramsundar,
Mohammad M. Sultan,
2014,
ICML.
Vijay S. Pande,
Michael R. Shirts,
Jarrod Chapman,
2002
.
Vijay S. Pande,
John D. Chodera,
Jay W. Ponder,
2014
.
Jure Leskovec,
Marinka Zitnik,
Vijay S. Pande,
2020,
ICLR.
Vijay S. Pande,
Bharath Ramsundar,
Rajiah A. Denny,
2016,
J. Chem. Inf. Model..
Vijay S. Pande,
Matthew P. Harrigan,
Bernard R. Brooks,
2016,
bioRxiv.
Jesús A. Izaguirre,
Vijay S. Pande,
Christopher R. Sweet,
2010,
Pacific Symposium on Biocomputing.
Robert T. McGibbon,
Vijay S. Pande,
Matthew P. Harrigan,
2016
.
Russ B. Altman,
Vijay S. Pande,
Marc Sosnick-Pérez,
2011,
Bioinform..
Robert T. McGibbon,
Vijay S. Pande,
Matthew P. Harrigan,
2015
.
Yang Li,
Vijay S. Pande,
Brooke E. Husic,
2018,
ArXiv.
D. Peter Tieleman,
Vijay S. Pande,
Giorgio Colombo,
2008,
J. Comput. Chem..
Robert T. McGibbon,
Todd J. Martinez,
Vijay S. Pande,
2016,
Journal of chemical theory and computation.
Vijay S. Pande,
K. Christopher Garcia,
Gregory R. Bowman,
2012,
Nature.
Vijay S. Pande,
2010
.
Vijay S. Pande,
Young Min Rhee,
V. Pande,
2006
.
Vijay S. Pande,
Jeremy L. England,
V. Pande,
2008,
Journal of the American Chemical Society.
Peter M. Kasson,
Vijay S. Pande,
Nina Singhal,
2006,
Proceedings of the National Academy of Sciences.
Vijay S. Pande,
Daniel S. Rokhsar,
V. Pande,
1998
.
Vijay S. Pande,
Alexander Y. Grosberg,
Eugene I. Shakhnovich,
1999
.
Vijay S. Pande,
V. Pande,
2003,
Proceedings of the National Academy of Sciences of the United States of America.
Amir Barati Farimani,
Vijay S. Pande,
Evan N. Feinberg,
2018
.
Vijay S. Pande,
Shimon Weiss,
Vincent A. Voelz,
2011
.
Leonidas J. Guibas,
Yuan Yao,
Vijay S. Pande,
2008,
Journal of the American Chemical Society.
Vijay S. Pande,
John D. Chodera,
William C. Swope,
2011,
1108.2304.
Vijay S. Pande,
Benjamin D. Sellers,
Anton V. Sinitskiy,
2016,
Scientific Reports.
Vijay S. Pande,
Thomas Simonson,
Christophe Chipot,
2007
.
Diwakar Shukla,
Vijay S. Pande,
Matthew P. Harrigan,
2015,
Journal of chemical theory and computation.
Vijay S. Pande,
Yigal Brandman,
Relly Brandman,
2012,
PloS one.
Discovery of a regioselectivity switch in nitrating P450s guided by MD simulations and Markov models
Vijay S. Pande,
Frances H. Arnold,
Gert Kiss,
2016,
Nature chemistry.
Vijay S. Pande,
Alexander Y. Grosberg,
V. Pande,
2000
.
Vijay S. Pande,
Anthony E. English,
V. Pande,
1995
.
Vijay S. Pande,
Anton V. Sinitskiy,
Anton V Sinitskiy,
2018,
1809.02723.
Vijay S. Pande,
V. Pande,
Toyoichi Tanaka,
1995,
cond-mat/9510123.
Vijay S. Pande,
Daniel S. Rokhsar,
Zev Bryant,
2000
.
Vijay S. Pande,
Xuhui Huang,
Gregory R. Bowman,
2009
.
Amir Barati Farimani,
Vijay S. Pande,
Evan N. Feinberg,
2018,
1804.08206.
Vijay S. Pande,
V. Pande,
Paul A. Novick,
2013,
PloS one.
Diwakar Shukla,
Vijay S. Pande,
Benoît Roux,
2016,
Proceedings of the National Academy of Sciences.
Vijay S. Pande,
Paul A. Wender,
V. Pande,
2017,
Nature Communications.