Probing the free energy landscape of the FBP28 WW domain using multiple techniques

Journal of Computational Chemistry

Volumn 30, Issue 7, 2009, Pages 1059-1068

  Periole, Xavier ^a   Allen, Lucy R ^b   Tamiola, Kamil ^a   Mark, Alan E ^a,c   Paci, Emanuele ^b  

^a UNIVERSITY OF GRONINGEN   (Netherlands)

^b UNIVERSITY OF LEEDS   (United Kingdom)

^c UNIVERSITY OF QUEENSLAND   (Australia)

Author keywords

Chemical shifts; Free energy landscape; Molecular dynamics simulation; Noes; Protein folding; Transition state

Indexed keywords

DENATURED STATE; DETAILED MODELS; EXPERIMENTAL DATA; EXPLICIT SOLVENTS; EXPLICIT TREATMENTS; FOLDING TIME; FREE-ENERGY LANDSCAPE; GEOMETRICAL CHARACTERISTICS; IMPLICIT SOLVENT MODEL; MD SIMULATION; MOLECULAR DYNAMICS SIMULATION; MOLECULAR DYNAMICS SIMULATIONS; MOLECULAR MODELS; NATIVE STATE; NOES; REPLICA EXCHANGE; SIMULATION TIME; STRUCTURE-BASED; TRANSITION STATE; TRANSITION STATE STRUCTURE; TWO-STATE; WW DOMAIN;

CHEMICAL SHIFT; CONFORMATIONS; DENATURATION; DYNAMICS; FREE ENERGY; MOLECULAR DYNAMICS; MOLECULAR MECHANICS; MOLECULAR MODELING; PROTEIN FOLDING; SOLVENTS;

SIMULATORS;

PROTEIN;

ARTICLE; CHEMICAL MODEL; CHEMICAL STRUCTURE; CHEMISTRY; COMPUTER SIMULATION; PROTEIN TERTIARY STRUCTURE; TEMPERATURE; THERMODYNAMICS;

COMPUTER SIMULATION; MODELS, CHEMICAL; MODELS, MOLECULAR; PROTEIN STRUCTURE, TERTIARY; PROTEINS; TEMPERATURE; THERMODYNAMICS;

EID: 65949113636     PISSN: 01928651     EISSN: 1096987X     Source Type: Journal    
DOI: 10.1002/jcc.21128     Document Type: Article

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