Enhanced ab initio protein folding simulations in Poisson-Boltzmann molecular dynamics with self-guiding forces

Journal of Molecular Graphics and Modelling

Volumn 22, Issue 5, 2004, Pages 415-424

  Wen, Edward Z ^a   Hsieh, Meng Juei ^a   Kollman, Peter A ^b   Luo, Ray ^a  

^a UNIVERSITY OF CALIFORNIA   (United States)

^b UNIVERSITY OF CALIFORNIA   (United States)

Author keywords

BBA1; Molecular dynamics; Poisson Boltzmann; Protein folding; Self guiding forces; Villin headpiece

Indexed keywords

DATA REDUCTION; HYDROPHOBICITY; MOLECULAR STRUCTURE; PROTEINS; THERMAL EFFECTS;

PROTEIN FOLDING; ROOM-TEMPERATURE DYNAMICS;

MOLECULAR DYNAMICS;

AMINO ACID; VILLIN;

AB INITIO CALCULATION; CONFERENCE PAPER; FORCE; HIGH TEMPERATURE; HYDROPHOBICITY; MATHEMATICAL COMPUTING; MEASUREMENT; MOLECULAR DYNAMICS; MOLECULAR MODEL; POISSON DISTRIBUTION; PRIORITY JOURNAL; PROTEIN FOLDING; ROOM TEMPERATURE; SAMPLING; SIMULATION; THERMODYNAMICS;

COMPUTER SIMULATION; GENES, SYNTHETIC; MODELS, MOLECULAR; NEUROFILAMENT PROTEINS; PEPTIDE FRAGMENTS; PROTEIN FOLDING; PROTEIN STRUCTURE, TERTIARY; PROTEINS; TIME FACTORS;

EID: 1942455284     PISSN: 10933263     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jmgm.2003.12.008     Document Type: Conference Paper

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