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Quantum-dynamical picture of a multistep enzymatic process: reaction catalyzed by phospholipase A(2).

A quantum-classical molecular dynamics model (QCMD), applying explicit integration of the time-dependent Schrödinger equation (QD) and Newtonian equations of motion (MD), is presented. The model is capable of describing quantum dynamical processes in complex biomolecular systems. It has been applied...

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Detalles Bibliográficos
Main Authors: Bała, P, Grochowski, P, Nowiński, K, Lesyng, B, McCammon, J A
Formato: Artigo
Idioma:Inglês
Publicado: 2000
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Acceso en liña:https://ncbi.nlm.nih.gov/pmc/articles/PMC1301021/
https://ncbi.nlm.nih.gov/pubmed/10968989
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