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Elsevier电子期刊(1)
ACS电子期刊(7)
在“
ACS电子期刊
”中,
命中:
7
条,耗时:小于0.01 秒
在所有数据库中总计命中:
8
条
1.
Prediction of Protein–Ligand Binding Poses via a Combination of Induced Fit Docking and Metadynamics Simulations
作者:
Anthony J. Clark
;
Pratyush
Tiwary
;
Ken Borrelli
;
Shulu Feng
;
Edward B. Miller
;
Robert Abel
;
Richard A. Friesner
;
B. J. Berne
刊名:Journal of Chemical Theory and Computation
出版年:2016
2.
How a Kinase Inhibitor Withstands Gatekeeper Residue Mutations
作者:
Jagannath Mondal
;
Pratyush
Tiwary
;
B. J. Berne
刊名:Journal of the American Chemical Society
出版年:2016
3.
New Approach for Investigating Reaction Dynamics and Rates with Ab Initio Calculations
作者:
Kelly L. Fleming
;
Pratyush
Tiwary
;
Jim Pfaendtner
刊名:Journal of Physical Chemistry A
出版年:2016
4.
de Broglie Swapping Metadynamics for Quantum and Classical Sampling
作者:
Marco Nava
;
Ruge Quhe
;
Ferruccio Palazzesi
;
Pratyush
Tiwary
;
Michele Parrinello
刊名:Journal of Chemical Theory and Computation
出版年:2015
5.
A Time-Independent Free Energy Estimator for Metadynamics
作者:
Pratyush
Tiwary
;
Michele Parrinello
刊名:Journal of Physical Chemistry B
出版年:2015
6.
Path Integral Metadynamics
作者:
Ruge Quhe
;
Marco Nava
;
Pratyush
Tiwary
;
Michele Parrinello
刊名:Journal of Chemical Theory and Computation
出版年:2015
7.
Assessing the Reliability of the Dynamics Reconstructed from Metadynamics
作者:
Matteo Salvalaglio
;
Pratyush
Tiwary
;
Michele Parrinello
刊名:Journal of Chemical Theory and Computation
出版年:2014
1
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