𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Steered Molecular Dynamics Simulation on the Binding of NNRTI to HIV-1 RT

✍ 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

No coin nor oath required. For personal study only.


πŸ“œ SIMILAR VOLUMES


Improved prediction of HIV-1 protease-in
✍ Ekachai Jenwitheesuk; Ram Samudrala πŸ“‚ Article πŸ“… 2003 πŸ› BioMed Central 🌐 English βš– 710 KB

## Background: The accurate prediction of enzyme-substrate interaction energies is one of the major challenges in computational biology. this study describes the improvement of protein-ligand binding energy prediction by incorporating protein flexibility through the use of molecular dynamics (md) s

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