Molecular Dynamics Simulation Framework to Probe the Binding Hypothesis of CYP3A4 Inhibitors.

Kiani, Yusra Sajid

Molecular Dynamics Simulation Framework to Probe the Binding Hypothesis of CYP3A4 Inhibitors. [electronic resource] - International journal of molecular sciences Sep 2019

Publication Type: Journal Article

1422-0067

10.3390/ijms20184468 doi


Algorithms
Amino Acids--chemistry
Binding Sites
Cytochrome P-450 CYP3A--chemistry
Cytochrome P-450 CYP3A Inhibitors--chemistry
Humans
Molecular Docking Simulation
Molecular Dynamics Simulation
Protein Binding
Thermodynamics