Calculation of the standard binding free energy of sparsomycin to the ribosomal peptidyl-transferase P-site using molecular dynamics simulations with restraining potentials

Journal of Molecular Recognition

Volumn 23, Issue 2, 2010, Pages 128-141

  Ge, Xiaoxia ^a   Roux, Benoît ^b,c  

^a WEILL CORNELL MEDICAL COLLEGE   (United States)

^b UNIVERSITY OF CHICAGO   (United States)

^c ARGONNE NATIONAL LABORATORY   (United States)

Author keywords

Counterions; Electrostatics; Simulation

Indexed keywords

LIGAND; MAGNESIUM; PEPTIDYLTRANSFERASE; SPARSOMYCIN;

ARTICLE; BINDING SITE; CHEMICAL STRUCTURE; CHEMISTRY; LARGE RIBOSOMAL SUBUNIT; MOLECULAR DYNAMICS; MONTE CARLO METHOD; PROTEIN BINDING; PROTEIN CONFORMATION; THERMODYNAMICS;

BINDING SITES; LIGANDS; MAGNESIUM; MODELS, MOLECULAR; MOLECULAR DYNAMICS SIMULATION; MONTE CARLO METHOD; PEPTIDYL TRANSFERASES; PROTEIN BINDING; PROTEIN CONFORMATION; RIBOSOME SUBUNITS, LARGE, BACTERIAL; SPARSOMYCIN; THERMODYNAMICS;

BACTERIA (MICROORGANISMS);

EID: 76649085219     PISSN: 09523499     EISSN: 10991352     Source Type: Journal    
DOI: 10.1002/jmr.996     Document Type: Article

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