Molecular dynamics simulations of the enzyme Catechol-O-Methyltransferase: Methodological issues

SAR and QSAR in Environmental Research

Volumn 19, Issue 1-2, 2008, Pages 179-189

  Bunker, A ^a   Mnnist, P T ^a   St Pierre, J F ^a,b   Rg, T ^c,d   Pomorski, P ^e   Stimson, L ^e   Karttunen, M ^c,e  

^a UNIVERSITY OF HELSINKI   (Finland)

^b UNIVERSITÉ DE MONTRÉAL   (Canada)

^c AALTO UNIVERSITY   (Finland)

^d JAGIELLONIAN UNIVERSITY   (Poland)

^e UNIVERSITY OF WESTERN ONTARIO   (Canada)

Author keywords

Catechol O methyltransferase; COMT; Hydrogen bonds; Molecular dynamics; Protein dynamics; Stability

Indexed keywords

ENZYMES; HYDROGEN BONDS; MOLECULAR MODELING; PHENOLS; QUANTUM THEORY;

A-STABILITY; CATECHOL-O-METHYLTRANSFERASE; CRYSTALS STRUCTURES; DYNAMICS SIMULATION; ENERGY MINIMIZATION PROCEDURE; INITIAL ENERGY; IRREVERSIBLE LOSS; PROTEIN DYNAMICS; STABILITY TESTS;

MOLECULAR DYNAMICS;

EID: 40249118437     PISSN: 1062936X     EISSN: 1029046X     Source Type: Journal    
DOI: 10.1080/10629360701843318     Document Type: Article

References (37)