Insights into the complex formed by matrix metalloproteinase-2 and alloxan inhibitors: Molecular dynamics simulations and free energy calculations

PLoS ONE

Volumn 6, Issue 10, 2011, Pages

  Giangreco, Ilenia ^a   Lattanzi, Gianluca ^a   Nicolotti, Orazio ^a   Catto, Marco ^a   Laghezza, Antonio ^a   Leonetti, Francesco ^a   Stefanachi, Angela ^a   Carotti, Angelo ^a  

^a UNIVERSITY OF BARI   (Italy)

Author keywords

[No Author keywords available]

Indexed keywords

ALLOXAN; ENZYME INHIBITOR; GELATINASE A; ZINC BINDING PROTEIN; DRUG DERIVATIVE; PROTEINASE INHIBITOR;

ARTICLE; BINDING AFFINITY; CATALYSIS; CHEMICAL ANALYSIS; CHEMICAL STRUCTURE; ENZYME ACTIVE SITE; HYDROGEN BOND; MOLECULAR DOCKING; MOLECULAR DYNAMICS; PHYSICAL CHEMISTRY; PROCESS OPTIMIZATION; PROTEIN ANALYSIS; PROTEIN BINDING; PROTEIN MOTIF; PROTEIN PROTEIN INTERACTION; PROTEIN STRUCTURE; QUANTITATIVE STUDY; TAUTOMER; THERMODYNAMICS; CHEMISTRY; DRUG ANTAGONISM; METABOLISM;

ALLOXAN; CATALYTIC DOMAIN; MATRIX METALLOPROTEINASE 2; MOLECULAR DYNAMICS SIMULATION; PROTEASE INHIBITORS; PROTEIN BINDING; THERMODYNAMICS;

EID: 80053600809     PISSN: None     EISSN: 19326203     Source Type: Journal    
DOI: 10.1371/journal.pone.0025597     Document Type: Article

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