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Wiley电子期刊(1)
NATURE电子期刊(1)
ACS电子期刊(11)
SpringerLink电子期刊(4)
Elsevier电子期刊(20)
在“
ACS电子期刊
”中,
命中:
11
条,耗时:0.0139952 秒
在所有数据库中总计命中:
37
条
1.
Efficient Atomistic Simulation of Path
w
ays and Calculation of Rate Constants for a Protein–Peptide Binding Process: Application to the MDM2 Protein and an Intrinsically Disordered p53 Peptide
作者:
Matthe
w
C. Z
w
ier
;
Adam J. Pratt
;
Joshua L. Adelman
;
Joseph
W
.
Kaus
;
Daniel M. Zuckerman
;
Lillian T. Chong
刊名:The Journal of Physical Chemistry Letters
出版年:2016
2.
OPLS3: A Force Field Providing Broad Coverage of Drug-like Small Molecules and Proteins
作者:
Ed
w
ard Harder
;
W
olfgang Damm
;
Jon Maple
;
Chuanjie
W
u
;
Mark Reboul
;
Jin Yu Xiang
;
Lingle
W
ang
;
Dmitry Lupyan
;
Markus K. Dahlgren
;
Jennifer L. Knight
;
Joseph
W
.
Kaus
;
David S. Cerutti
;
Goran Krilov
;
W
illiam L. Jorgensen
;
Robert Abel
;
Richard A. Friesner
刊名:Journal of Chemical Theory and Computation
出版年:2016
3.
Protocols Utilizing Constant pH Molecular Dynamics to Compute pH-Dependent Binding Free Energies
作者:
M. Olivia Kim
;
Patrick G. Blachly
;
Joseph
W
.
Kaus
;
J. Andre
w
McCammon
刊名:Journal of Physical Chemistry B
出版年:2015
4.
Discovery of a Potent Class of PI3K伪 Inhibitors
w
ith Unique Binding Mode via Encoded Library Technology (ELT)
作者:
Hongfang Yang
;
Patricia F. Medeiros
;
Kaus
hik Raha
;
Patricia Elkins
;
Kenneth E. Lind
;
Ruth Lehr
;
Nicholas D. Adams
;
Joelle L. Burgess
;
Stanley J. Schmidt
;
Steven D. Knight
;
Kurt R. Auger
;
Michael D. Schaber
;
G.
Joseph
Franklin
;
Yun Ding
;
Jennifer L. DeLorey
;
Paolo A. Centrella
;
Sibongile Mataruse
;
Steven R. Skinner
;
Matthe
w
A. Clark
;
John
W
. Cuozzo
;
Ghotas Evindar
刊名:ACS Medicinal Chemistry Letters
出版年:2015
5.
W
ESTPA: An Interoperable, Highly Scalable Soft
w
are Package for Weighted Ensemble Simulation and Analysis
作者:
Matthe
w
C. Z
w
ier
;
Joshua L. Adelman
;
Joseph
W
.
Kaus
;
Adam J. Pratt
;
Kim F.
W
ong
;
Nicholas B. Rego
;
Ernesto Su谩rez
;
Steven Lettieri
;
David
W
. Wang
;
Michael Grabe
;
Daniel M. Zuckerman
;
Lillian T. Chong
刊名:Journal of Chemical Theory and Computation
出版年:2015
6.
Ho
w
To Deal
w
ith Multiple Binding Poses in Alchemical Relative Protein鈥揕igand Binding Free Energy Calculations
作者:
Joseph
W
.
Kaus
;
Ed
w
ard Harder
;
Teng Lin
;
Robert Abel
;
J. Andre
w
McCammon
;
Lingle
W
ang
刊名:Journal of Chemical Theory and Computation
出版年:2015
7.
Enhanced Ligand Sampling for Relative Protein鈥揕igand Binding Free Energy Calculations
作者:
Joseph
W
.
Kaus
;
J. Andre
w
McCammon
刊名:Journal of Physical Chemistry B
出版年:2015
8.
Accelerated Adaptive Integration Method
作者:
Joseph
W
.
Kaus
;
Mehrnoosh Arrar
;
J. Andre
w
McCammon
刊名:Journal of Physical Chemistry B
出版年:2014
9.
Improving the Efficiency of Free Energy Calculations in the Amber Molecular Dynamics Package
作者:
Joseph
W
.
Kaus
;
Levi T. Pierce
;
Ross C.
W
alker
;
J. Andre
w
McCammon
刊名:Journal of Chemical Theory and Computation
出版年:2013
10.
Efficient Explicit-Solvent Molecular Dynamics Simulations of Molecular Association Kinetics: Methane/Methane, Na+/Cl鈭?/sup>, Methane/Benzene, and K+/18-Cro
w
n-6 Ether
作者:
Matthe
w
C. Z
w
ier
;
Joseph
W
.
Kaus
;
Lillian T. Chong
刊名:Journal of Chemical Theory and Computation
出版年:2011
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