An Integrated Computational Approach to Rationalize the Activity of Non-Zinc-Binding MMP-2 Inhibitors

PLoS ONE

Volumn 7, Issue 11, 2012, Pages

  Di Pizio, Antonella ^a   Agamennone, Mariangela ^a   Aschi, Massimiliano ^b  

^a UNIVERSITY OF CHIETI   (Italy)

^b UNIVERSITY OF L'AQUILA   (Italy)

Author keywords

[No Author keywords available]

Indexed keywords

GELATINASE A; MATRIX METALLOPROTEINASE 2 INHIBITOR; MATRIX METALLOPROTEINASE INHIBITOR; UNCLASSIFIED DRUG;

ARTICLE; CALCULATION; CONTROLLED STUDY; ENZYME BINDING; ENZYME INHIBITION; ENZYME STRUCTURE; MATHEMATICAL COMPUTING; MOLECULAR DOCKING; MOLECULAR DYNAMICS; SIMULATION; STRUCTURE ANALYSIS; THERMODYNAMICS;

ALGORITHMS; AMINO ACID MOTIFS; BINDING SITES; HUMANS; HYDROGEN BONDING; ISOMERISM; MATRIX METALLOPROTEINASE 2; MATRIX METALLOPROTEINASE INHIBITORS; MOLECULAR DOCKING SIMULATION; MOLECULAR DYNAMICS SIMULATION; PROTEIN BINDING; PROTEIN STRUCTURE, TERTIARY; THERMODYNAMICS;

EID: 84869060793     PISSN: None     EISSN: 19326203     Source Type: Journal    
DOI: 10.1371/journal.pone.0047774     Document Type: Article

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