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A 3D-RISM integral equation study of a hydrated dipeptide

Authors :
Hiroshi Iwasaki
Shinichi Miura
Shinnosuke Gyoubu
Tsutomu Kawatsu
Source :
Molecular Simulation. 41:1015-1020
Publication Year :
2014
Publisher :
Informa UK Limited, 2014.

Abstract

In this study, thermodynamic and molecular properties of a hydrated alanine dipeptide have been studied by the three-dimensional reference interaction site method (3D-RISM) theory. The excess chemi...

Details

ISSN :
10290435 and 08927022
Volume :
41
Database :
OpenAIRE
Journal :
Molecular Simulation
Accession number :
edsair.doi...........2c7b0ca82ec02fb035bb52126c277adb