Induced fit for cytochrome P450 3A4 based on molecular dynamics

The present study aims at numerically describing to what extent substrate - enzyme complexes in solution may change over time as a natural process of conformational changes for a liganded enzyme in comparison to those movements which occur independently from substrate interaction, i.e. without a lig...

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Bibliographic Details
Main Authors: Thomas R.F. Scior, Israel Quiroga
Format: Article
Language:English
Published: International Association of Physical Chemists (IAPC) 2019-12-01
Series:ADMET and DMPK
Subjects:
Online Access:http://pub.iapchem.org/ojs/index.php/admet/article/view/729