Possible ligand release pathway of dipeptidyl peptidase IV investigated by molecular dynamics simulations

Proteins: Structure, Function and Bioinformatics

Volumn 79, Issue 6, 2011, Pages 1800-1809

  Li, Cui ^a   Shen, Jie ^a   Li, Weihua ^a   Lu, Chunhua ^a   Liu, Guixia ^a   Tang, Yun ^a  

^a EAST CHINA UNIVERSITY OF SCIENCE AND TECHNOLOGY   (China)

Author keywords

DPP4; Inhibitor release; Potentials of mean force; Steered molecular dynamics

Indexed keywords

DIPEPTIDYL PEPTIDASE IV; DIPEPTIDYL PEPTIDASE IV INHIBITOR;

ARTICLE; BINDING SITE; ENZYME RELEASE; ENZYME STRUCTURE; MOLECULAR DYNAMICS; PRIORITY JOURNAL;

CATALYTIC DOMAIN; CRYSTALLOGRAPHY, X-RAY; DIABETES MELLITUS, TYPE 2; DIPEPTIDYL PEPTIDASE 4; DIPEPTIDYL-PEPTIDASE IV INHIBITORS; HUMANS; LIGANDS; MOLECULAR DYNAMICS SIMULATION; PROTEIN BINDING; PROTEIN STRUCTURE, TERTIARY;

EID: 79955708969     PISSN: 08873585     EISSN: 10970134     Source Type: Journal    
DOI: 10.1002/prot.23004     Document Type: Article

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