Characterization of Promiscuous Binding of Phosphor Ligands to Breast-Cancer-Gene 1 (BRCA1) C-Terminal (BRCT): Molecular Dynamics, Free Energy, Entropy and Inhibitor Design
作者： Wanli You , Yu-ming M. Huang , Smitha Kizhake , Amarnath Natarajan , Chia-en A. Chang
DOI: 10.1371/JOURNAL.PCBI.1005057
关键词:
摘要: … On the basis of our calculations and the structure of compound C1, we further modified it to enhance … In summary, designing a pre-rigidified ligand to reduce entropy cost can be tricky …
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