Role of Enzyme Flexibility in Ligand Access and Egress to...

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Journal of Chemical Theory and Computation 2016 / 03

Role of Enzyme Flexibility in Ligand Access and Egress to Active Site – Bias-Exchange Metadynamics Study of 1,3,7-Trimethyluric Acid in Cytochrome P450 3A4

Paloncyova, Marketa, Navrátilová, Veronika, Berka, Karel, Laio, Alessandro, Otyepka, Michal
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Language:
english
Journal:
Journal of Chemical Theory and Computation
DOI:
10.1021/acs.jctc.6b00075
Date:
March, 2016
File:
PDF, 1.23 MB
english, 2016
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