Unraveling the molecular structure of the catalytic domain of matrix metalloproteinase-2 in complex with a triple-helical peptide by means of molecular dynamics simulations

Biochemistry

Volumn 52, Issue 47, 2013, Pages 8556-8569

  Díaz, Natalia ^a   Suárez, Dimas ^a   Valdés, Haydeé ^a  

^a UNIVERSITY OF OVIEDO   (Spain)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTATIONAL STUDIES; DISTORTED GEOMETRY; MATRIX METALLOPROTEINASE-2; MOLECULAR DYNAMICS SIMULATIONS; POTENTIAL OF MEAN FORCE; PRE-REACTIVE COMPLEXES; SIMULATION METHODOLOGY; STRUCTURE AND DYNAMICAL PROPERTIES;

MOLECULAR DYNAMICS;

PEPTIDES;

GELATINASE A; PROTEIN FTHP 5; SOLVENT; SYNTHETIC PEPTIDE; UNCLASSIFIED DRUG;

ARTICLE; CALCULATION; CHEMICAL BOND; COMPLEX FORMATION; CRYSTAL STRUCTURE; ENZYME ACTIVE SITE; ENZYME STRUCTURE; FORCE; GEOMETRY; MOLECULAR DOCKING; MOLECULAR DYNAMICS; MOLECULAR MODEL; PRIORITY JOURNAL; SIMULATION;

ANIMALS; CATALYTIC DOMAIN; COLLAGEN TYPE II; HUMANS; MATRIX METALLOPROTEINASE 2; MODELS, MOLECULAR; MOLECULAR DOCKING SIMULATION; MOLECULAR DYNAMICS SIMULATION; PEPTIDE FRAGMENTS; PROTEIN CONFORMATION; PROTEIN INTERACTION DOMAINS AND MOTIFS; PROTEIN STABILITY; PROTEIN STRUCTURE, QUATERNARY; PROTEIN STRUCTURE, SECONDARY;

EID: 84888597077     PISSN: 00062960     EISSN: 15204995     Source Type: Journal    
DOI: 10.1021/bi401144p     Document Type: Article

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