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CNKI学位论文(25)
知网期刊论文(15)
在“
ACS电子期刊
”中,
命中:
14
条,耗时:小于0.01 秒
在所有数据库中总计命中:
40
条
1.
A Simple Method for Automated Equilibration Detection in Molecular Simulations
作者:
John
D.
Chodera
刊名:Journal of Chemical Theory and Computation
出版年:2016
2.
Toward Automated Benchmarking of Atomistic Force Fields: Neat Liquid Densities and Static Dielectric Constants from the ThermoML Data Archive
作者:
Kyle A. Beauchamp
;
Julie M. Behr
;
Ari毛n S. Rustenburg
;
Christopher I. Bayly
;
Kenneth Kroenlein
;
John
D.
Chodera
刊名:Journal of Physical Chemistry B
出版年:2015
3.
Time Step Rescaling Recovers Continuous-Time Dynamical Properties for Discrete-Time Langevin Integration of Nonequilibrium Systems
作者:
David A. Sivak
;
John
D.
Chodera
;
Gavin E. Crooks
刊名:Journal of Physical Chemistry B
出版年:2014
4.
OpenMM 4: A Reusable, Extensible, Hardware Independent Library for High Performance Molecular Simulation
作者:
Peter Eastman
;
Mark S. Friedrichs
;
John
D.
Chodera
;
Randall J. Radmer
;
Christopher M. Bruns
;
Joy P. Ku
;
Kyle A. Beauchamp
;
Thomas J. Lane
;
Lee-Ping Wang
;
Diwakar Shukla
;
Tony Tye
;
Mike Houston
;
Timo Stich
;
Christoph Klein
;
Michael R. Shirts
;
Vijay S. Pande
刊名:Journal of Chemical Theory and Computation
出版年:2013
5.
On the Use of Experimental Observations to Bias Simulated Ensembles
作者:
Jed W. Pitera
;
John
D.
Chodera
刊名:Journal of Chemical Theory and Computation
出版年:2012
6.
Comparison of Charge Models for Fixed-Charge Force Fields: Small Molecule Hydration Free Energies in Explicit Solvent
作者:
David L. Mobley
;
脡lise Dumont
;
John
D.
Chodera
;
Ken A. Dill
刊名:Journal of Physical Chemistry B
出版年:2011
7.
Current Status of the AMOEBA Polarizable Force Field
作者:
Jay W. Ponder
;
Chuanjie Wu
;
Pengyu Ren
;
Vijay S. Pande
;
John
D.
Chodera
;
Michael J. Schnieders
;
Imran Haque
;
David L. Mobley
;
Daniel S. Lambrecht
;
Robert A. DiStasio
;
Jr.
;
Martin Head-Gordon
;
Gary N. I.
刊名:Journal of Physical Chemistry B
出版年:2010
8.
Predicting Small-Molecule Solvation Free Energies: An Informal Blind Test for Computational Chemistry
作者:
Anthony Nicholls
;
David L. Mobley
;
J. Peter Guthrie
;
John
D.
Chodera
;
Christopher I. Bayly
;
Matthew D. Cooper
;
Vijay S. Pande
刊名:Journal of Medicinal Chemistry
出版年:2008
9.
Treating Entropy and Conformational Changes in Implicit Solvent Simulations of Small Molecules
作者:
David L. Mobley
;
Ken A. Dill
;
John
D.
Chodera
刊名:Journal of Physical Chemistry B
出版年:2008
10.
Confine-and-Release Method: Obtaining Correct Binding Free Energies in the Presence of Protein Conformational Change
作者:
David L. Mobley
;
John
D.
Chodera
;
Ken A. Dill
刊名:Journal of Chemical Theory and Computation
出版年:2007
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