The sensitivity of conformational free energies of the alanine dipeptide to atomic site charges

Biopolymers

Volumn 41, Issue 1, 1997, Pages 73-81

  Resat, Haluk ^a,c   Maye, Peter V ^b   Mezei, Mihaly ^a  

^a CITY UNIVERSITY OF NEW YORK   (United States)

^b 3M COMPANY   (United States)

^c KOÇ UNIVERSITY   (Turkey)

Author keywords

[No Author keywords available]

Indexed keywords

COMPOSITION EFFECTS; CONFORMATIONS; ELECTRIC CHARGE; ELECTROSTATICS; FREE ENERGY; MOLECULAR DYNAMICS;

ALANINE DIPEPTIDE CONFORMATIONAL FREE ENERGIES; CONFORMATION ATOMIC POINT CHARGES;

POLYPEPTIDES;

ALANINE; DIPEPTIDE;

ARTICLE; CALCULATION; ENERGY; PEPTIDE ANALYSIS; PROTEIN CONFORMATION; STRUCTURE ANALYSIS;

BINDING SITES; CHEMISTRY, PHYSICAL; DIPEPTIDES; PROTEIN CONFORMATION; SENSITIVITY AND SPECIFICITY; THERMODYNAMICS;

EID: 0031021793     PISSN: 00063525     EISSN: None     Source Type: Journal    
DOI: 10.1002/(sici)1097-0282(199701)41:1<73::aid-bip7>3.0.co;2-%23     Document Type: Article

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