Steered Molecular Dynamics Simulation on the Binding of NNRTI to HIV-1 RT
β Scribed by Shen, Lingling; Shen, Jianhua; Luo, Xiaomin; Cheng, Feng; Xu, Yechun; Chen, Kaixian; Arnold, Edward; Ding, Jianping; Jiang, Hualiang
- Book ID
- 118515823
- Publisher
- Biophysical Society
- Year
- 2003
- Tongue
- English
- Weight
- 761 KB
- Volume
- 84
- Category
- Article
- ISSN
- 0006-3495
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## Abstract The constants of binding of five peptide analogs to the active site of the HIVβ1 asparticβprotease are calculated based on a novel sampling scheme that is efficient and does not introduce any approximations in addition to the energy function used to describe the system. The results agre