Kinetics, in silico docking, molecular dynamics, and MM-GBSA binding studies on prototype indirubins, KT5720, and staurosporine as phosphorylase kinase ATP-binding site inhibitors: the role of water molecules examined.

Hayes, Joseph M

Kinetics, in silico docking, molecular dynamics, and MM-GBSA binding studies on prototype indirubins, KT5720, and staurosporine as phosphorylase kinase ATP-binding site inhibitors: the role of water molecules examined. [electronic resource] - Proteins Mar 2011 - 703-19 p. digital

Publication Type: Journal Article; Research Support, Non-U.S. Gov't

1097-0134

10.1002/prot.22890 doi


Adenosine Triphosphate--antagonists & inhibitors
Amino Acid Sequence
Base Sequence
Carbazoles--chemistry
DNA Primers
Indoles--chemistry
Kinetics
Molecular Dynamics Simulation
Molecular Sequence Data
Phosphorylase Kinase--antagonists & inhibitors
Pyrroles--chemistry
Sequence Homology, Amino Acid
Staurosporine--chemistry
Water--chemistry