Determination of effective potentials for the stretching of Cα...Cα virtual bonds in polypeptide chains for coarse-grained simulations of proteins from ab initio energy surfaces of N-methylacetamide and N-acetylpyrrolidine

Adam Sieradzan , Harold A. Scheraga , Józef Adam Liwo

Abstract

n/a
Author Adam Sieradzan (FCh / DTCh / LMM)
Adam Sieradzan,,
- Laboratory of Molecular Modeling
, Harold A. Scheraga
Harold A. Scheraga,,
-
, Józef Adam Liwo (FCh / DTCh / LMM)
Józef Adam Liwo,,
- Laboratory of Molecular Modeling
Journal seriesJournal of Chemical Theory and Computation, ISSN 1549-9618, (A 40 pkt)
Issue year2012
Vol8
No4
Pages1334-1343
Publication size in sheets0.5
Keywords in Englishpotentials, Cα...Cα virtual bonds, coarse-grained simulations, ab initio
ASJC Classification1606 Physical and Theoretical Chemistry; 1706 Computer Science Applications
DOIDOI:10.1021/ct2008439
URL http://pubs.acs.org/doi/pdf/10.1021/ct2008439
Languageen angielski
Score (nominal)40
Publication indicators WoS Citations = 22; Scopus SNIP (Source Normalised Impact per Paper): 2012 = 1.614; WoS Impact Factor: 2012 = 5.389 (2) - 2012=5.936 (5)
Citation count*24 (2020-02-14)
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