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CNKI学位论文(331)
知网期刊论文(53)
在“
ACS电子期刊
”中,
命中:
13
条,耗时:0.0459511 秒
在所有数据库中总计命中:
384
条
1.
OPL
S
3: A Force Field Providing Broad Coverage of Drug-like Small Molecule
s
and Protein
s
作者:
Edward Harder
;
Wolfgang Damm
;
Jon Maple
;
Chuanjie Wu
;
Mark Reboul
;
Jin Yu Xiang
;
Lingle Wang
;
Dmitry Lupyan
;
Marku
s
K. Dahlgren
;
Jennifer L. Knight
;
Jo
s
eph W. Kau
s
;
David
S
.
Cerutti
;
Goran Krilov
;
William L. Jorgen
s
en
;
Robert Abel
;
Richard A. Frie
s
ner
刊名:Journal of Chemical Theory and Computation
出版年:2016
2.
Further along the Road Le
ss
Traveled: AMBER ff15ipq, an Original Protein Force Field Built on a Self-Con
s
i
s
tent Phy
s
ical Model
作者:
Karl T. Debiec
;
David
S
.
Cerutti
;
Lewi
s
R. Baker
;
Angela M. Gronenborn
;
David
A. Ca
s
e
;
Lillian T. Chong
刊名:Journal of Chemical Theory and Computation
出版年:2016
3.
ff14ipq: A
S
elf-Con
s
i
s
tent Force Field for Conden
s
ed-Pha
s
e Simulation
s
of Protein
s
作者:
David
S
.
Cerutti
;
William C.
S
wope
;
Julia E. Rice
;
David
A. Ca
s
e
刊名:Journal of Chemical Theory and Computation
出版年:2014
4.
S
econd-Contact Shell Mutation Dimini
s
he
s
Streptavidin鈥揃iotin Binding Affinity through Tran
s
mitted Effect
s
on Equilibrium Dynamic
s
作者:
Loren Baugh
;
I
s
olde Le Trong
;
David
S
.
Cerutti
;
Nital Mehta
;
S
u
s
anne G眉lich
;
Patrick
S
. Stayton
;
Ronald E.
S
tenkamp
;
Terry P. Lybrand
刊名:Biochemi
s
try
出版年:2012
5.
Peptide Cry
s
tal Simulation
s
Reveal Hidden Dynamic
s
作者:
Pawel A. Janow
s
ki
;
David
S
.
Cerutti
;
Jame
s
Holton
;
David
A. Ca
s
e
刊名:The Journal of the American Chemical
S
ociety
出版年:2013
6.
Derivation of Fixed Partial Charge
s
for Amino Acid
s
Accommodating a Specific Water Model and Implicit Polarization
作者:
David
S
.
Cerutti
;
Julia E. Rice
;
William C.
S
wope
;
David
A. Ca
s
e
刊名:The Journal of Phy
s
ical Chemi
s
try B
出版年:2013
7.
Multi-Level Ewald: A Hybrid Multigrid/Fa
s
t Fourier Tran
s
form Approach to the Electro
s
tatic Particle-Me
s
h Problem
作者:
David
S
.
Cerutti
;
David
A. Ca
s
e
刊名:Journal of Chemical Theory and Computation
出版年:2010
8.
S
imulation
s
of a Protein Cry
s
tal with a High Re
s
olution X-ray Structure: Evaluation of Force Field
s
and Water Model
s
作者:
David
S
.
Cerutti
;
Peter L. Freddolino
;
Robert E. Duke
;
Jr.
;
David
A. Ca
s
e
刊名:Journal of Phy
s
ical Chemi
s
try B
出版年:2010
9.
A Di
s
tal Point Mutation in the Streptavidin−Biotin Complex Pre
s
erve
s
Structure but Dimini
s
he
s
Binding Affinity: Experimental Evidence of Electronic Polarization Effect
s
?
作者:
Loren Baugh
;
I
s
olde Le Trong
;
David
S
.
Cerutti
;
S
u
s
anne Glich
;
Patrick
S
. Stayton
;
Ronald E.
S
tenkamp
;
Terry P. Lybrand
刊名:Biochemi
s
try
出版年:2010
10.
Dynamic
s
of the Streptavidin−Biotin Complex in Solution and in It
s
Cry
s
tal Lattice: Di
s
tinct Behavior Revealed by Molecular Simulation
s
作者:
David
S
.
Cerutti
;
I
s
olde Le Trong
;
Ronald E.
S
tenkamp
;
Terry P. Lybrand
刊名:Journal of Phy
s
ical Chemi
s
try B
出版年:2009
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