On the ability of molecular dynamics force fields to recapitulate NMR derived protein side chain order parameters

Protein Science

Volumn 25, Issue 6, 2016, Pages 1156-1160

  O'Brien, Evan S ^a   Wand, A Joshua ^a   Sharp, Kim A ^a  

^a UNIVERSITY OF PENNSYLVANIA   (United States)

Author keywords

accuracy; force field; molecular dynamics; NMR relaxation; protein motion; side chain motion

Indexed keywords

AMIDE; ASPARAGINE; ASPARTIC ACID; ISOLEUCINE; LEUCINE; POLYPEPTIDE; PROTEIN; STRUCTURAL PROTEIN; SOCS1 PROTEIN, HUMAN; SUPPRESSOR OF CYTOKINE SIGNALING 1;

ARTICLE; HYDROGEN BOND; MECHANICAL TORSION; MOLECULAR DYNAMICS; MOLECULAR MODEL; NUCLEAR MAGNETIC RESONANCE; PRIORITY JOURNAL; PROTEIN STABILITY; SIMULATION; CHEMISTRY; HUMAN; PROTEIN SECONDARY STRUCTURE;

HUMANS; MOLECULAR DYNAMICS SIMULATION; NUCLEAR MAGNETIC RESONANCE, BIOMOLECULAR; PROTEIN STRUCTURE, SECONDARY; SUPPRESSOR OF CYTOKINE SIGNALING 1 PROTEIN;

EID: 84963747480     PISSN: 09618368     EISSN: 1469896X     Source Type: Journal    
DOI: 10.1002/pro.2922     Document Type: Article

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