作者: Sunil K. Rai , Praveen Singh , Shaziya Khanam , Ashish K. Tewari
DOI: 10.1039/C5NJ03683F
关键词:
摘要: … Prior to the simulations, all bound ligands, cofactors, and water … The grid maps representing the intact ligand in the actual … the binding site where the intact ligand was embedded. Finally, …