Liu, Hongli <br/><br/>
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] 

 -  Journal of computer-aided molecular design  12 2016 
 - 1189-1200 p.  digital 
<br/><br/> Publication Type: Journal Article; Research Support, Non-U.S. Gov't 
<br/><br/><label>ISSN: </label>1573-4951 
<br/><br/><label>Standard No.: </label>10.1007/s10822-016-9992-2  doi 
<br/><br/><label>Subjects--Topical Terms: </label><br/>Amino Acids--genetics<br/>Androgen Receptor Antagonists--chemistry<br/>Androgens--chemistry<br/>Anilides--chemistry<br/>Antineoplastic Agents--chemistry<br/>Binding Sites<br/>Drug Resistance, Neoplasm<br/>Humans<br/>Male<br/>Molecular Conformation<br/>Molecular Dynamics Simulation<br/>Mutation<br/>Nitriles--chemistry<br/>Receptors, Androgen--chemistry<br/>Stereoisomerism<br/>Structure-Activity Relationship<br/>Thermodynamics<br/>Tosyl Compounds--chemistry