Molecular dynamics simulation of matrix metalloproteinase 2: Fluctuations and time evolution of recognition pockets

Journal of Computer-Aided Molecular Design

Volumn 17, Issue 12, 2003, Pages 837-848

  Falconi, Mattia ^a   Altobelli, Gioia ^a   Iovino, Maria Cristina ^a   Politi, Vincenzo ^b   Desideri, Alessandro ^a  

^a UNIVERSITY OF ROME TOR VERGATA   (Italy)

^b Polifarma SpA ^*  (Italy)

Author keywords

Long range communication; Matrix metalloproteinases; Protein flexibility; Recognition pockets; Solvent accessibility

Indexed keywords

CRYSTAL STRUCTURE; ENZYME INHIBITION; ZINC;

CATALYTIC DOMAINS; DYNAMICS SIMULATION; LONG-RANGE COMMUNICATIONS; MATRIX; MATRIX METALLOPROTEINASE; METALLOPROTEINASES; MULTI-DOMAINS; PROTEIN FLEXIBILITY; RECOGNITION POCKET; SOLVENT ACCESSIBILITY;

MOLECULAR DYNAMICS;

FIBRONECTIN; GELATINASE A; HEMOPEXIN; ZINC;

ARTICLE; COMPUTER SIMULATION; CONTROLLED STUDY; CORRELATION ANALYSIS; CRYSTAL STRUCTURE; DEGENERATIVE DISEASE; DRUG DESIGN; ENZYME ACTIVE SITE; ENZYME STRUCTURE; METASTASIS; MOLECULAR DYNAMICS; MOLECULAR MODEL; PRIORITY JOURNAL; PROTEIN DOMAIN; PROTEIN FOLDING; PROTEIN TARGETING;

EID: 1942539337     PISSN: 0920654X     EISSN: None     Source Type: Journal    
DOI: 10.1023/B:JCAM.0000021883.44532.75     Document Type: Article

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