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NATURE电子期刊(1)
Elsevier电子期刊(3)
ACS电子期刊(11)
在“
ACS电子期刊
”中,
命中:
11
条,耗时:小于0.01 秒
在所有数据库中总计命中:
15
条
1.
OPLS3: A Force Field Providing Broad Coverage of Drug-like Small Molecules and Proteins
作者:
Edward Harder
;
Wolfgang Damm
;
Jon Maple
;
Chuanjie Wu
;
Mark Reboul
;
Jin Yu Xiang
;
Lingle
Wang
;
Dmitry Lupyan
;
Markus K. Dahlgren
;
Jennifer L. Knight
;
Joseph W. Kaus
;
David S. Cerutti
;
Goran Krilov
;
William L. Jorgensen
;
Robert Abel
;
Richard A. Friesner
刊名:Journal of Chemical Theory and Computation
出版年:2016
2.
Sensitivity in Binding Free Energies Due to Protein Reorganization
作者:
Nathan M. Lim
;
Lingle
Wang
;
Robert Abel
;
David L. Mobley
刊名:Journal of Chemical Theory and Computation
出版年:2016
3.
Accurate Binding Free Energy Predictions in Fragment Optimization
作者:
Thomas B. Steinbrecher
;
Markus Dahlgren
;
Daniel Cappel
;
Teng Lin
;
Lingle
Wang
;
Goran Krilov
;
Robert Abel
;
Richard Friesner
;
Woody Sherman
刊名:Journal of Chemical Information and Modeling
出版年:2015
4.
Docking and Free Energy Perturbation Studies of Ligand Binding in the Kappa Opioid Receptor
作者:
Dahlia A. Goldfeld
;
Robert Murphy
;
Byungchan Kim
;
Lingle
Wang
;
Thijs Beuming
;
Robert Abel
;
Richard A. Friesner
刊名:Journal of Physical Chemistry B
出版年:2015
5.
How To Deal with Multiple Binding Poses in Alchemical Relative Protein鈥揕igand Binding Free Energy Calculations
作者:
Joseph W. Kaus
;
Edward Harder
;
Teng Lin
;
Robert Abel
;
J. Andrew McCammon
;
Lingle
Wang
刊名:Journal of Chemical Theory and Computation
出版年:2015
6.
Accurate and Reliable Prediction of Relative Ligand Binding Potency in Prospective Drug Discovery by Way of a Modern Free-Energy Calculation Protocol and Force Field
作者:
Lingle
Wang
;
Yujie Wu
;
Yuqing Deng
;
Byungchan Kim
;
Levi Pierce
;
Goran Krilov
;
Dmitry Lupyan
;
Shaughnessy Robinson
;
Markus K. Dahlgren
;
Jeremy Greenwood
;
Donna L. Romero
;
Craig Masse
;
Jennifer L. Knight
;
Thomas Steinbrecher
;
Thijs Beuming
;
Wolfgang Damm
;
Ed Harder
;
Woody Sherman
;
Mark Brewer
;
Ron Wester
;
Mark Murcko
;
Leah Frye
;
Ramy Farid
;
Teng Lin
;
David L. Mobley
;
William L. Jorgensen
;
Bruce J. Berne
;
Richard A. Friesner
;
Robert Abel
刊名:Journal of the American Chemical Society
出版年:2015
7.
Modeling Local Structural Rearrangements Using FEP/REST: Application to Relative Binding Affinity Predictions of CDK2 Inhibitors
作者:
Lingle
Wang
;
Yuqing Deng
;
Jennifer L. Knight
;
Yujie Wu
;
Byungchan Kim
;
Woody Sherman
;
John C. Shelley
;
Teng Lin
;
Robert Abel
刊名:Journal of Chemical Theory and Computation
出版年:2013
8.
Replica Exchange with Solute Scaling: A More Efficient Version of Replica Exchange with Solute Tempering (REST2)
作者:
Lingle
Wang
;
Richard A. Friesner
;
B. J. Berne
刊名:Journal of Physical Chemistry B
出版年:2011
9.
Competition of Electrostatic and Hydrophobic Interactions between Small Hydrophobes and Model Enclosures
作者:
Lingle
Wang
;
Richard A. Friesner
;
B. J. Berne
刊名:Journal of Physical Chemistry B
出版年:2010
10.
A Displaced-Solvent Functional Analysis of Model Hydrophobic Enclosures
作者:
Robert Abel
;
Lingle
Wang
;
Richard A. Friesner
;
B. J. Berne
刊名:Journal of Chemical Theory and Computation
出版年:2010
1
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