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Understanding the molecular mechanism of the broad and potent neutralization of HIV-1 by antibody VRC01 from the perspective of molecular dynamics simulation and binding free energy calculations

✍ Scribed by Yan Zhang, Dabo Pan, Yulin Shen, Nengzhi Jin, Huanxiang Liu, Xiaojun Yao


Book ID
118218684
Publisher
Springer-Verlag
Year
2012
Tongue
English
Weight
902 KB
Volume
18
Category
Article
ISSN
1610-2940

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πŸ“œ SIMILAR VOLUMES


Absolute free energies of binding of pep
✍ Christian Bartels; Armin Widmer; Claus Ehrhardt πŸ“‚ Article πŸ“… 2005 πŸ› John Wiley and Sons 🌐 English βš– 447 KB

## Abstract The constants of binding of five peptide analogs to the active site of the HIV‐1 aspartic‐protease 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