Folding processes of the B domain of protein A to the native state observed in all-atom ab initio folding simulations

Journal of Chemical Physics

Volumn 128, Issue 23, 2008, Pages

  Lei, Hongxing ^a   Wu, Chun ^a   Wang, Zhi Xiang ^a   Zhou, Yaoqi ^b   Duan, Yong ^a  

^a UNIVERSITY OF CALIFORNIA   (United States)

^b INDIANA UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

AMINO ACIDS; ATOMIC PHYSICS; ATOMS; DYNAMICS; FORECASTING; MELTING POINT; MOLECULAR DYNAMICS; POPULATION STATISTICS; QUANTUM CHEMISTRY;

AB INITIO; AB INITIO SIMULATIONS; AB INITIO STRUCTURE; ALL-ATOM FORCE FIELD; AMERICAN INSTITUTE OF PHYSICS (AIP); CONTROL SCHEMES; EXPERIMENTAL OBSERVATIONS; FOLDED STRUCTURES; FOLDING MECHANISMS; FOLDING PROCESSES; FORCE FIELD (FF); HELICAL CONTENT; MECHANISTIC STUDIES; MELTING TEMPERATURE (TM); MOLECULAR DYNAMICS SIMULATIONS (MDS); NATIVE STATES; PHENYLALANINE (PHE); PHYSICAL ENERGY; PROTEIN A; PROTEIN FOLDING SIMULATIONS; REPLICA EXCHANGE; REPLICA EXCHANGE MOLECULAR DYNAMICS (REX-MD); ROOT MEAN SQUARE DEVIATION (RMSD); SOLVATION MODELS; SOLVENT MODELS; TEMPERATURE DEPENDENT;

PROTEIN FOLDING;

STAPHYLOCOCCUS PROTEIN A;

ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; COMPUTER SIMULATION; GENETICS; KINETICS; METABOLISM; MUTATION; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; PROTEIN FOLDING; PROTEIN TERTIARY STRUCTURE; QUANTUM THEORY; TEMPERATURE; THERMODYNAMICS;

COMPUTER SIMULATION; KINETICS; MAGNETIC RESONANCE SPECTROSCOPY; MODELS, MOLECULAR; MUTATION; PROTEIN FOLDING; PROTEIN STRUCTURE, TERTIARY; QUANTUM THEORY; STAPHYLOCOCCAL PROTEIN A; TEMPERATURE; THERMODYNAMICS;

EID: 47249119770     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2937135     Document Type: Article

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