Large-scale conformational changes of Trypanosoma cruzi proline racemase predicted by accelerated molecular dynamics simulation

PLoS Computational Biology

Volumn 7, Issue 10, 2011, Pages

  de Oliveira, César Augusto F ^a   Grant, Barry J ^a   Zhou, Michelle ^a   McCammon, J Andrew ^a,b  

^a UNIVERSITY OF CALIFORNIA   (United States)

^b San Diego   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ACCELERATED MOLECULAR DYNAMICS; B CELLS; CELL RESPONSE; CONFORMATIONAL CHANGE; DYNAMICS SIMULATION; LARGE-SCALES; MITOGENIC; RACEMASE; T.CRUZI; TRYPANOSOMA CRUZI;

MOLECULAR DYNAMICS;

EPITOPE; PROLINE RACEMASE; RACEMASE; UNCLASSIFIED DRUG; ISOMERASE; PROTOZOAL PROTEIN;

ARTICLE; B LYMPHOCYTE; CONFORMATIONAL TRANSITION; CONTROLLED STUDY; CRYSTAL STRUCTURE; ENZYME ACTIVITY; ENZYME BINDING; ENZYME STRUCTURE; EPITOPE MAPPING; LEARNING ALGORITHM; MATHEMATICAL MODEL; MITOGENESIS; MOLECULAR DYNAMICS; PROTEIN FUNCTION; TRYPANOSOMA CRUZI; ANIMAL; CHEMICAL STRUCTURE; CHEMISTRY; ENZYMOLOGY; IMMUNOLOGY; PRINCIPAL COMPONENT ANALYSIS; PROTEIN CONFORMATION;

PROTOZOA; TRYPANOSOMA CRUZI;

AMINO ACID ISOMERASES; ANIMALS; B-LYMPHOCYTES; MODELS, MOLECULAR; MOLECULAR DYNAMICS SIMULATION; PRINCIPAL COMPONENT ANALYSIS; PROTEIN CONFORMATION; PROTOZOAN PROTEINS; TRYPANOSOMA CRUZI;

EID: 80055100410     PISSN: 1553734X     EISSN: 15537358     Source Type: Journal    
DOI: 10.1371/journal.pcbi.1002178     Document Type: Article

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