Comparison of multiple amber force fields and development of improved protein backbone parameters

Proteins: Structure, Function and Genetics

Volumn 65, Issue 3, 2006, Pages 712-725

  Hornak, Viktor ^a   Abel, Robert ^b   Okur, Asim ^a   Strockbine, Bentley ^a   Roitberg, Adrian ^b   Simmerling, Carlos ^a,c  

^a STONY BROOK UNIVERSITY   (United States)

^b University of Florida ^*  (United States)

^c BROOKHAVEN NATIONAL LABORATORY   (United States)

Author keywords

helix; Decoy analysis; Dihedral parameters; Molecular dynamics; Molecular mechanics; NMR order parameters; Trialanine

Indexed keywords

ALANINE; GLYCINE; PROTEIN; TETRAPEPTIDE;

AB INITIO CALCULATION; ALPHA HELIX; COMPUTER SIMULATION; ENERGY; FORCE FIELD; MAGNETIC FIELD; MOLECULAR DYNAMICS; MOLECULAR MECHANICS; NUCLEAR MAGNETIC RESONANCE; PRIORITY JOURNAL; PROTEIN CONFORMATION; PROTEIN SECONDARY STRUCTURE; PROTEIN STRUCTURE; PROTEIN SYNTHESIS; QUANTUM MECHANICS; REVIEW; SIMULATION;

ALANINE; ALGORITHMS; COMPUTER SIMULATION; DATABASES, PROTEIN; GLYCINE; NUCLEAR MAGNETIC RESONANCE, BIOMOLECULAR; OLIGOPEPTIDES; PROTEIN STRUCTURE, SECONDARY; PROTEINS; THERMODYNAMICS;

EID: 33748518255     PISSN: 08873585     EISSN: 10970134     Source Type: Journal    
DOI: 10.1002/prot.21123     Document Type: Review

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