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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.

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Description scientific article published on 11 March 2016
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author: Markéta Paloncýová  Veronika Navrátilová  Michal Otyepka  Alessandro Laio  Karel Berka 

Publication date March 11, 2016
Language English
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