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CNKI学位论文(218)
CNKI期刊论文0611(1)
知网期刊论文(118)
在“
ACS电子期刊
”中,
命中:
31
条,耗时:小于0.01 秒
在所有数据库中总计命中:
337
条
1.
Differential Water Thermodynamics Determine PI3K-Beta/Delta Selectivity for Solvent-Exposed Ligand Modifications
作者:
Daniel Robinson
;
Thomas Bertrand
;
Jean-Christophe Carry
;
Frank Halley
;
Andreas Karlsson
;
Magali Mathieu
;
Hervé Minoux
;
Marc-Antoine Perrin
;
Benoit Robert
;
Laurent Schio
;
Woody
Sherman
刊名:Journal of Chemical Information and Modeling
出版年:2016
2.
Relative Binding Free Energy Calculations Applied to Protein Homology Models
作者:
Daniel CappelMichelle Lynn Hall
;
Eelke B. Lenselink
;
Thijs Beuming
;
Jun Qi
;
James Bradner
;
Woody
Sherman
刊名:Journal of Chemical Information and Modeling
出版年:2016
3.
Automated Protocol for Large-Scale Modeling of Gene Expression Data
作者:
Michelle Lynn Hall
;
David Calkins
;
Woody
Sherman
刊名:Journal of Chemical Information and Modeling
出版年:2016
4.
On the Rational Design of Zeolite Clusters
作者:
Angela N. Migues
;
Adina Muskat
;
Scott M. Auerbach
;
Woody
Sherman
;
S. Vaitheeswaran
刊名:ACS Catalysis
出版年:2015
5.
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
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.
Interactions between Hofmeister Anions and the Binding Pocket of a Protein
作者:
Jerome M. Fox
;
Kyungtae Kang
;
Woody
Sherman
;
Annie H茅roux
;
G. Madhavi Sastry
;
Mostafa Baghbanzadeh
;
Matthew R. Lockett
;
George M. Whitesides
刊名:Journal of the American Chemical Society
出版年:2015
8.
Selecting an Optimal Number of Binding Site Waters To Improve Virtual Screening Enrichments Against the Adenosine A2A Receptor
作者:
Eelke B. Lenselink
;
Thijs Beuming
;
Woody
Sherman
;
Herman W. T. van Vlijmen
;
Adriaan P. IJzerman
刊名:Journal of Chemical Information and Modeling
出版年:2014
9.
A Computational Approach to Enzyme Design: Predicting 蠅-Aminotransferase Catalytic Activity Using Docking and MM-GBSA Scoring
作者:
Sarah Sirin
;
Rajesh Kumar
;
Carlos Martinez
;
Michael J. Karmilowicz
;
Preeyantee Ghosh
;
Yuriy A. Abramov
;
Van Martin
;
Woody
Sherman
刊名:Journal of Chemical Information and Modeling
出版年:2014
10.
Mechanistic and Computational Studies of the Reductive Half-Reaction of Tyrosine to Phenylalanine Active Site Variants of d-Arginine Dehydrogenase
作者:
Swathi Gannavaram
;
Sarah Sirin
;
Woody
Sherman
;
Giovanni Gadda
刊名:Biochemistry
出版年:2014
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