Molecular mechanism of R-bicalutamide switching from androgen receptor antagonist to agonist induced by amino acid mutations using molecular dynamics simulations and free energy calculation. [electronic resource]
Producer: 20171107Description: 1189-1200 p. digitalISSN:- 1573-4951
- Amino Acids -- genetics
- Androgen Receptor Antagonists -- chemistry
- Androgens -- chemistry
- Anilides -- chemistry
- Antineoplastic Agents -- chemistry
- Binding Sites
- Drug Resistance, Neoplasm
- Humans
- Male
- Molecular Conformation
- Molecular Dynamics Simulation
- Mutation
- Nitriles -- chemistry
- Receptors, Androgen -- chemistry
- Stereoisomerism
- Structure-Activity Relationship
- Thermodynamics
- Tosyl Compounds -- chemistry
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Publication Type: Journal Article; Research Support, Non-U.S. Gov't
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