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在“ACS电子期刊”中，命中：39条，耗时：0.0319711 秒

在所有数据库中总计命中：1,706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.A Stochastic Solution to the Unbinned WHAM Equations

作者：Bin W. Zhang ; Junchao Xia ; Zhiqiang Tan ; Ronald M. Levy

刊名：The Journal of Physical Chemistry Letters

出版年：2015

4.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

5.Conformational Analysis of the DFG-Out Kinase Motif and Biochemical Profiling of Structurally Validated Type II Inhibitors

作者：R. S. K. Vijayan ; Peng He ; Vivek Modi ; Krisna C. Duong-Ly ; Haiching Ma ; Jeffrey R. Peterson ; Roland L. Dunbrack ; Jr. ; Ronald M. Levy

刊名：Journal of Medicinal Chemistry

出版年：2015

6.Connecting Free Energy Surfaces in Implicit and Explicit Solvent: An Efficient Method To Compute Conformational and Solvation Free Energies

作者：Nanjie Deng ; Bin W. Zhang ; Ronald M. Levy

刊名：Journal of Chemical Theory and Computation

出版年：2015

7.Molecular Dynamics of the Proline Switch and Its Role in Crk Signaling

作者：Junchao Xia ; Ronald M. Levy

刊名：Journal of Physical Chemistry B

出版年：2014

8.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

9.How Kinetics within the Unfolded State Affects Protein Folding: An Analysis Based on Markov State Models and an Ultra-Long MD Trajectory

作者：Nan-jie Deng ; Wei Dai ; Ronald M. Levy

刊名：Journal of Physical Chemistry B

出版年：2013

10.NMR Relaxation in Proteins with Fast Internal Motions and Slow Conformational Exchange: Model-Free Framework and Markov State Simulations

作者：Junchao Xia ; Nan-jie Deng ; Ronald M. Levy

刊名：The Journal of Physical Chemistry B

出版年：2013

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