Improved prediction of HIV-1 protease-in
✍
Ekachai Jenwitheesuk; Ram Samudrala
📂
Article
📅
2003
🏛
BioMed Central
🌐
English
⚖ 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