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