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Wiley电子期刊(1)
SpringerLink电子期刊(2)
Elsevier电子期刊(17)
ACS电子期刊(81)
在“
ACS电子期刊
”中,
命中:
81
条,耗时:0.0889855 秒
在所有数据库中总计命中:
101
条
1.
Accurate Modeling of Scaffold Hopping Transformations in Drug Discovery
作者:
Lingle WangYuqing Deng
;
Yujie Wu
;
Byungchan Kim
;
David N. LeBard
;
Dan W
and
schneider
;
Mike Beachy
;
Richard
A.
Friesner
;
Robert Abel
刊名:Journal of Chemical Theory
and
Computation
出版年:2017
2.
Evaluation of the Performance of the B3LYP, PBE0,
and
M06 DFT Functionals,
and
DBLOC-Corrected Versions, in the Calculation of Redox Potentials
and
Spin Splittings for Transition Metal Containing Systems
作者:
Dilek Coskun
;
Steven V. Jerome
;
Richard
A.
Friesner
刊名:Journal of Chemical Theory
and
Computation
出版年:2016
3.
WScore: A Flexible
and
Accurate Treatment of Explicit Water Molecules in Lig
and
–Receptor Docking
作者:
Robert B. Murphy
;
Matthew P. Repasky
;
Jeremy R. Greenwood
;
Ivan Tubert-Brohman
;
Steven Jerome
;
Ramakrishna Annabhimoju
;
Nicholas A. Boyles
;
Christopher D. Schmitz
;
Robert Abel
;
Ramy Farid
;
Richard
A.
Friesner
刊名:Journal of Medicinal Chemistry
出版年:2016
4.
Prediction of Protein–Lig
and
Binding Poses via a Combination of Induced Fit Docking
and
Metadynamics Simulations
作者:
Anthony J. Clark
;
Pratyush Tiwary
;
Ken Borrelli
;
Shulu Feng
;
Edward B. Miller
;
Robert Abel
;
Richard
A.
Friesner
;
B. J. Berne
刊名:Journal of Chemical Theory
and
Computation
出版年:2016
5.
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
6.
Docking
and
Free Energy Perturbation Studies of Lig
and
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
7.
Accurate
and
Reliable Prediction of Relative Lig
and
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
8.
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
9.
Role of Desolvation in Thermodynamics
and
Kinetics of Lig
and
Binding to a Kinase
作者:
Jagannath Mondal
;
Richard
A.
Friesner
;
B. J. Berne
刊名:Journal of Chemical Theory
and
Computation
出版年:2014
10.
Multicolor Live-Cell Chemical Imaging by Isotopically Edited Alkyne Vibrational Palette
作者:
Zhixing Chen
;
Daniel W. Paley
;
Lu Wei
;
And
rew L. Weisman
;
Richard
A.
Friesner
;
Colin Nuckolls
;
Wei Min
刊名:Journal of the American Chemical Society
出版年:2014
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