Pub. Date : 2011 Jan
PMID : 22210962
1 Functional Relationships(s)Download |
Sentence | Compound Name | Protein Name | Organism |
| 1 | We report a Quantum mechanics/Molecular Mechanics-Poisson-Boltzmann/ Surface Area (QM/MM-PB/SA) method to calculate the binding free energy of c-Abl human tyrosine kinase by combining the QM and MM principles where the ligand is treated quantum mechanically and the rest of the receptor by classical molecular mechanics. | 2-chloro-10-(4'(N-beta-hydroxyethyl)piperazinyl-1')acetylphenothiazine | ABL proto-oncogene 1, non-receptor tyrosine kinase | Homo sapiens |