Beta-hairpin restraint potentials for calculations of potentials of mean force as a function of beta-hairpin tilt, rotation, and distance

Journal of Computational Chemistry

Volumn 30, Issue 8, 2009, Pages 1334-1343

  Jinhyuk, L E E ^a   Sihyun, H A M ^b   Wonpil, I M ^a  

^a UNIVERSITY OF KANSAS   (United States)

^b Sookmyung Women's University   (South Korea)

Author keywords

Antimicrobial peptide; Association energy; Free energy decomposition; Implicit membrane model; Molecular dynamics; Protegrin 1 (PG 1)

Indexed keywords

ANTIMICROBIAL PEPTIDE; ASSOCIATION ENERGY; FREE ENERGY DECOMPOSITION; IMPLICIT MEMBRANE MODEL; PROTEGRIN-1 (PG-1);

AMINES; FREE ENERGY; MEMBRANES; MOLECULAR DYNAMICS; PEPTIDES; REACTION KINETICS;

ROTATION;

ANTIMICROBIAL CATIONIC PEPTIDE; PROTEGRIN 1; PROTEGRIN-1;

ARTICLE; CHEMICAL MODEL; CHEMISTRY; COMPUTER SIMULATION; PROTEIN CONFORMATION; PROTEIN SECONDARY STRUCTURE; ROTATION;

ANTIMICROBIAL CATIONIC PEPTIDES; COMPUTER SIMULATION; MODELS, CHEMICAL; PROTEIN CONFORMATION; PROTEIN STRUCTURE, SECONDARY; ROTATION;

EID: 66449133930     PISSN: 01928651     EISSN: 1096987X     Source Type: Journal    
DOI: 10.1002/jcc.21154     Document Type: Article

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