Including Explicit Water Molecules as Part of the Protein Structure in MM/PBSA Calculations.
Yong-Liang ZhuPaul BerozaDean R. ArtisPublished in: J. Chem. Inf. Model. (2014)
Keyphrases
- protein structure
- molecular biology
- protein sequences
- protein structure prediction
- secondary structure
- protein tertiary structure
- protein structure and function
- protein function
- amino acids
- computational approaches
- contact map
- protein folding
- protein structure alignment
- computational biology
- nuclear magnetic resonance
- experimentally determined