A convective replica-exchange method for sampling new energy basins

Journal of Computational Chemistry

Volumn 34, Issue 2, 2013, Pages 132-140

  Spill, Yannick G ^a,b   Bouvier, Guillaume ^a   Nilges, Michael ^a  

^a INSTITUT PASTEUR   (France)

^b PARIS DESCARTES SORBONNE PARIS CITÉ UNIVERSITY   (France)

Author keywords

A 25 35; Alanine Dipeptide; Detailed Balance; GB hairpin; Molecular Dynamics; Monte Carlo; Parallel Tempering; Replica Exchange

Indexed keywords

ALANINE DIPEPTIDES; DETAILED BALANCE; GB HAIRPIN; MONTE CARLO; PARALLEL TEMPERING; REPLICA EXCHANGE;

AMINO ACIDS;

MOLECULAR DYNAMICS;

ALANINE; ALANYLALANINE; AMYLOID BETA PROTEIN; AMYLOID BETA PROTEIN (25 35); AMYLOID BETA-PROTEIN (25-35); BACTERIAL PROTEIN; DIPEPTIDE; GUANINE NUCLEOTIDE BINDING PROTEIN; PEPTIDE FRAGMENT;

ALGORITHM; AMINO ACID SEQUENCE; ARTICLE; CHEMISTRY; HUMAN; MOLECULAR DYNAMICS; MOLECULAR GENETICS; PROTEIN CONFORMATION; PROTEIN MULTIMERIZATION; STREPTOMYCES GRISEUS; TEMPERATURE; THERMODYNAMICS;

ALANINE; ALGORITHMS; AMINO ACID SEQUENCE; AMYLOID BETA-PEPTIDES; BACTERIAL PROTEINS; DIPEPTIDES; GTP-BINDING PROTEINS; HUMANS; MOLECULAR DYNAMICS SIMULATION; MOLECULAR SEQUENCE DATA; PEPTIDE FRAGMENTS; PROTEIN CONFORMATION; PROTEIN MULTIMERIZATION; STREPTOMYCES GRISEUS; TEMPERATURE; THERMODYNAMICS;

EID: 84870614366     PISSN: 01928651     EISSN: 1096987X     Source Type: Journal    
DOI: 10.1002/jcc.23113     Document Type: Article

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