Del Rio, Alberto

A computational workflow for the design of irreversible inhibitors of protein kinases. [electronic resource] - Journal of computer-aided molecular design Mar 2010 - 183-94 p. digital

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

1573-4951

10.1007/s10822-010-9324-x doi


Amino Acid Sequence
Antineoplastic Agents--chemistry
Binding Sites
Cysteine--chemistry
Drug Design
Humans
Mitogen-Activated Protein Kinase 1--antagonists & inhibitors
Molecular Dynamics Simulation
Molecular Sequence Data
Protein Binding
Protein Conformation
Protein Kinase Inhibitors--chemistry
Structure-Activity Relationship