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2 research outputs found

Path Integral Coarse-Graining Replica Exchange Method for Enhanced Sampling

Author: Abrams C. F.
Adcock S. A.
Cao J.
Cao J.
Cao J.
Dror R. O.
Feynman R. P.
Fukunishi H.
Gregory A. Voth
Hermans J.
Jiang W.
Kirkpatrick S.
Kumar S.
Kumar S.
Laio A.
Lee Y.-H.
Li H.
Li H.
Liu P.
Liu P.
Lyman E.
Lyman E.
Mackerell A. D.
Maragliano L.
Maragliano L.
Okur A.
Parchaňský V.
Park S.
Paschek D.
Patey G. N.
Ruhong Zhou
Santoro G. E.
Scheraga H. A.
Smith P. E.
Sugita Y.
Tobiast D. J.
Valleau J. P.
Yuxing Peng
Zhen Cao
Zhou R.
Zhou R.
Zuckerman D. M.
Publication venue: 'American Chemical Society (ACS)'
Publication date
Field of study

Influence of C-terminal residues on the structural and molecular properties of dipeptides: a theoretical study in a vacuum and implicit and explicit aqueous environments

Author: A Mahapatra
AD Becke
C Adamo
C Aleman
C Lee
C Ravikumar
CD Keefe
CL Brooks III
D Kaur
DJ Tobiast
F Freeman
FF García-Prieto
G Das
G Das
G Sieler
G Srinivasan
GA Chasse
GN Ramachandran
GN Ramachandran
Gunajyoti Das
I Saada
IL Karle
IL Karle
IR Gould
J Kemmink
J Sponer
J Yao
JA Krzycki
JB Foresman
K Fukui
K Tazaki
L Padmaja
MP Andersson
MR Wormald
MT Baei
N Foloppe
NA Besley
NA Campbell
NP Lukashenko
P Amodeo
P Selvarengan
R Vargas
S Ghosh
S Mandal
S Miertus
SG Kalko
SG Stepanian
SG Stepanian
Shilpi Mandal
T Head-Gordon
T Kameda
Y Mandel-Gutfreund
Z Slanina
ZX Wang
Publication venue: 'Springer Science and Business Media LLC'
Publication date
Field of study

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