Modern computational methodology applied to the simulation of blocked trialanine peptide in vacuo, water clusters, and bulk water

Journal of Physical Chemistry B

Volumn 101, Issue 38, 1997, Pages 7592-7603

  Samuelson, S ^a   Tobias, D J ^b   Martyna, G J ^a  

^a INDIANA UNIVERSITY   (United States)

^b NATIONAL INSTITUTE OF STANDARDS AND TECHNOLOGY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTATIONAL METHODS; COMPUTER SIMULATION; COMPUTER SOFTWARE; CONFORMATIONS; FREE ENERGY; HYDRATION; HYDROGEN BONDS; MOLECULAR DYNAMICS; MOLECULAR STRUCTURE; WATER;

SOFTWARE PACKAGE PINY_MD; TRIALANINE PEPTIDE;

NITROGEN COMPOUNDS;

EID: 0031232794     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp9704269     Document Type: Article

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