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...
Main Authors: | , |
---|---|
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 |