John D. Chodera
发表
Frank Noé,
David W. H. Swenson,
Jan-Hendrik Prinz,
2018
.
David L. Mobley,
John D. Chodera,
Mehtap Işık,
2019,
Journal of Computer-Aided Molecular Design.
J. Ben Rosen,
Chaok Seok,
John D. Chodera,
2003,
J. Comput. Chem..
Michail Papadourakis,
Stefano Bosisio,
David L. Mobley,
2020,
Journal of Computer-Aided Molecular Design.
Sean Ekins,
John D. Chodera,
Sonya M. Hanson,
2015,
bioRxiv.
Hannes H. Loeffler,
David L. Mobley,
John D. Chodera,
2017
.
Robert T. McGibbon,
Vijay S. Pande,
Matthew P. Harrigan,
2016
.
Christian Kramer,
Terry R. Stouch,
John D. Chodera,
2015,
Journal of Computer-Aided Molecular Design.
Frank Noé,
David W. H. Swenson,
Jan-Hendrik Prinz,
2018,
bioRxiv.
John D. Chodera,
Kyle A. Beauchamp,
Sonya M. Hanson,
2015,
bioRxiv.
David L. Mobley,
John D. Chodera,
Mehtap Işık,
2020,
Journal of Computer-Aided Molecular Design.
Yuanqing Wang,
John D. Chodera,
Josh Fass,
2020,
ArXiv.
David L. Mobley,
Michael Chiu,
Michael K. Gilson,
2018,
bioRxiv.
Frank Noé,
Daniel M. Zuckerman,
John D. Chodera,
2020,
bioRxiv.
Alexandre M. J. J. Bonvin,
Helmut Grubmüller,
Erik Lindahl,
2019,
J. Chem. Inf. Model..
David L. Mobley,
John D. Chodera,
Daniel F. Ortwine,
2016,
bioRxiv.
John D. Chodera,
Vincent A. Voelz,
Gregory R. Bowman,
2021,
Biophysical Journal.
John D. Chodera,
Mehtap Işık,
Ariën S. Rustenburg,
2020,
Journal of Computer-Aided Molecular Design.
John D. Chodera,
Vincent A. Voelz,
Gregory R. Bowman,
2020,
bioRxiv.
Open Force Field Consortium: Escaping atom types using direct chemical perception with SMIRNOFF v0.1
David L. Mobley,
Michael K. Gilson,
Christopher I. Bayly,
2018,
bioRxiv.
John D. Chodera,
Ken A. Dill,
Jed W. Pitera,
2006,
Multiscale Model. Simul..
Xiao Wang,
David L. Mobley,
John D. Chodera,
2018,
bioRxiv.
Benedict J. Leimkuhler,
John D. Chodera,
David A. Sivak,
2018,
bioRxiv.
John D. Chodera,
2015
.
David L. Mobley,
Michael K. Gilson,
Christopher I. Bayly,
2020
.
Vijay S. Pande,
John D. Chodera,
Jay W. Ponder,
2014
.
Benedict Leimkuhler,
John D. Chodera,
David A. Sivak,
2018
.
Vijay S. Pande,
Matthew P. Harrigan,
Bernard R. Brooks,
2016,
bioRxiv.
Robert Abel,
Lingle Wang,
John D. Chodera,
2020,
bioRxiv.
Kai Wang,
John D. Chodera,
Michael R. Shirts,
2013,
Journal of Computer-Aided Molecular Design.
Wei Yao,
David L. Mobley,
Michael K. Gilson,
2018,
bioRxiv.
John D. Chodera,
Kyle A. Beauchamp,
Sonya M. Hanson,
2015
.
NNP/MM: Fast molecular dynamics simulations with machine learning potentials and molecular mechanics
Gianni De Fabritiis,
Roberto Fino,
John D. Chodera,
2022,
ArXiv.
United Kingdom,
John D. Chodera,
Boulder,
2021,
J. Chem. Inf. Model..
David L. Mobley,
John D. Chodera,
Mehtap Işık,
2021,
Journal of Computer-Aided Molecular Design.
David L. Mobley,
John D. Chodera,
Michael R. Shirts,
2016
.
Bo Wang,
John D. Chodera,
Steven K. Albanese,
2018,
Nature.
John D. Chodera,
Joel Tellinghuisen,
J. Chodera,
2015,
bioRxiv.
Robert Abel,
Lingle Wang,
Kevin Hauser,
2017,
Communications Biology.
John D. Chodera,
Sonya M. Hanson,
2016
.
Vijay S. Pande,
John D. Chodera,
William C. Swope,
2011,
1108.2304.
John D. Chodera,
Bettina Keller,
Nina Singhal Hinrichs,
2011,
1108.1430.
Cheng Luo,
Jian Jin,
Hualiang Jiang,
2018,
bioRxiv.
John D. Chodera,
David A. Sivak,
Gavin E. Crooks,
2013,
The journal of physical chemistry. B.
Gregory A Ross,
John D. Chodera,
Patrick B. Grinaway,
2017
.
David L. Mobley,
John D. Chodera,
Mehtap Işık,
2019,
bioRxiv.
David L. Mobley,
John D. Chodera,
Michael R. Shirts,
2007
.
David D. L. Minh,
John D. Chodera,
2012
.
John D. Chodera,
Mehtap Işık,
Januka Budhathoki-Uprety,
2017,
Nature Materials.
David L. Mobley,
John D. Chodera,
Daniel F. Ortwine,
2016
.
Using Nonequilibrium Fluctuation Theorems to Understand and Correct Errors in Equilibrium and Nonequ
John D. Chodera,
David A. Sivak,
Gavin E. Crooks,
2011,
1107.2967.