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在“
ACS电子期刊
”中,
命中:
17
条,耗时:小于0.01 秒
在所有数据库中总计命中:
3
条
1.
Binding Energy Distribution Analysis Method: Hamiltonian Replica Exchange with Torsional Flattening for Binding Mode Prediction and Binding Free Energy Estimation
作者:
Ahmet Mentes
;
Nan-Jie Deng
;
R. S. K. Vijayan
;
Junchao Xia
;
Emilio
Gallicchio
;
Ronald M. Levy
刊名:Journal of Chemical Theory and Computation
出版年:2016
2.
Simulating Replica Exchange: Markov State Models, Proposal Schemes, and the Infinite Swapping Limit
作者:
Bin W. Zhang
;
Wei Dai
;
Emilio
Gallicchio
;
Peng He
;
Junchao Xia
;
Zhiqiang Tan
;
Ronald M. Levy
刊名:Journal of Physical Chemistry B
出版年:2016
3.
Distinguishing Binders from False Positives by Free Energy Calculations: Fragment Screening Against the Flap Site of HIV Protease
作者:
Nanjie Deng
;
Stefano Forli
;
Peng He
;
Alex Perryman
;
Lauren Wickstrom
;
R. S. K. Vijayan
;
Theresa Tiefenbrunn
;
David Stout
;
Emilio
Gallicchio
;
Arthur J. Olson
;
Ronald M. Levy
刊名:Journal of Physical Chemistry B
出版年:2015
4.
Large Scale Affinity Calculations of Cyclodextrin Host鈥揋uest Complexes: Understanding the Role of Reorganization in the Molecular Recognition Process
作者:
Lauren Wickstrom
;
Peng He
;
Emilio
Gallicchio
;
Ronald M. Levy
刊名:Journal of Chemical Theory and Computation
出版年:2013
5.
Conformational Transitions and Convergence of Absolute Binding Free Energy Calculations
作者:
Mauro Lapelosa
;
Emilio
Gallicchio
;
Ronald M. Levy
刊名:Journal of Chemical Theory and Computation
出版年:2012
6.
Kinetic Network Study of the Diversity and Temperature Dependence of Trp-Cage Folding Pathways: Combining Transition Path Theory with Stochastic Simulations
作者:
Weihua Zheng
;
Emilio
Gallicchio
;
Nanjie Deng
;
Michael Andrec
;
Ronald M. Levy
刊名:Journal of Physical Chemistry B
出版年:2011
7.
Binding Energy Distribution Analysis Method (BEDAM) for Estimation of Protein−Ligand Binding Affinities
作者:
Emilio
Gallicchio
;
Mauro Lapelosa
;
Ronald M. Levy
刊名:Journal of Chemical Theory and Computation
出版年:2010
8.
Recovering Kinetics from a Simplified Protein Folding Model Using Replica Exchange Simulations: A Kinetic Network and Effective Stochastic Dynamics
作者:
Weihua Zheng
;
Michael Andrec
;
Emilio
Gallicchio
;
Ronald M. Levy
刊名:Journal of Physical Chemistry B
出版年:2009
9.
Molecular Dynamics Study of Non-nucleoside Reverse Transcriptase Inhibitor 4-[[4-[[4-[(E)-2-Cyanoethenyl]-2,6-dimethylphenyl]amino]-2-pyrimidinyl]amino]benzonitrile (TMC278/Rilpivirine) Aggrega
作者:
Yulia Volovik Frenkel
;
Emilio
Gallicchio
;
Kalyan Das
;
Ronald M. Levy
;
Eddy Arnold
刊名:Journal of Medicinal Chemistry
出版年:2009
10.
The AGBNP2 Implicit Solvation Model
作者:
Emilio
Gallicchio
;
Kristina Paris
;
Ronald M. Levy
刊名:Journal of Chemical Theory and Computation
出版年:2009
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