Energy landscapes associated with macromolecular conformational changes from endpoint structures

Journal of the American Chemical Society

Volumn 132, Issue 49, 2010, Pages 17570-17577

  Fornili, Arianna ^a,b   Giabbai, Barbara ^a,c   Garau, Gianpiero ^a,d   Degano, Massimo ^a  

^a SAN RAFFAELE HOSPITAL   (Italy)

^b KING'S COLLEGE LONDON   (United Kingdom)

^c AdriaCell   (Italy)

^d ISTITUTO ITALIANO DI TECNOLOGIA   (Italy)

Author keywords

[No Author keywords available]

Indexed keywords

ANTIGEN RECOGNITION; BINDING CONSTANT; COLLECTIVE VARIABLES; CONFORMATIONAL CHANGE; CONFORMATIONAL ENERGIES; CONFORMATIONAL TRANSITIONS; ENERGY LANDSCAPE; ENZYMATIC REACTION; ESSENTIAL DYNAMICS; FREE-ENERGY CALCULATIONS; IN-SILICO; INTERCONVERSIONS; NON EQUILIBRIUM; NUCLEOSIDE HYDROLASES; PRODUCT RELEASE; PROTONATION STATE; QUANTITATIVE CHARACTERIZATION; QUANTITATIVE DATA; RATE LIMITING; SINGLE RESIDUE; SPECIFIC BINDING; SUBSTRATE BINDING; TRANSITION STATE; UNDERLYING DYNAMICS; UNIFIED METHOD; X-RAY STRUCTURE;

FREE ENERGY; LIGANDS; MACROMOLECULES;

BINDING ENERGY;

LIGAND; NUCLEOSIDASE;

ANALYTIC METHOD; ARTICLE; BINDING AFFINITY; CHEMICAL STRUCTURE; COMPUTER MODEL; CONTROLLED STUDY; DYNAMICS; ENERGY; ENZYME ANALYSIS; MACROMOLECULE; NONEQUILIBRIUM WORK; QUANTITATIVE ANALYSIS; TARGETED ESSENTIAL DYNAMICS SAMPLING; X RAY DIFFRACTION;

CRYSTALLOGRAPHY, X-RAY; ESCHERICHIA COLI; ESCHERICHIA COLI PROTEINS; IMINO FURANOSES; LIGANDS; MOLECULAR DYNAMICS SIMULATION; N-GLYCOSYL HYDROLASES; PHENYLENEDIAMINES; PROTEIN BINDING; PROTEIN CONFORMATION; THERMODYNAMICS;

EID: 78650140251     PISSN: 00027863     EISSN: 15205126     Source Type: Journal    
DOI: 10.1021/ja107640u     Document Type: Article

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