pmx: Automated protein structure and topology generation for alchemical perturbations.
Vytautas GapsysServaas MichielssensDaniel SeeligerBert L. de GrootPublished in: J. Comput. Chem. (2015)
Keyphrases
- protein structure
- molecular biology
- protein sequences
- secondary structure
- protein structure prediction
- protein structure and function
- amino acids
- nuclear magnetic resonance
- protein tertiary structure
- protein structural
- computational approaches
- amino acid sequences
- contact map
- network analysis
- protein function
- experimentally determined
- protein structure alignment
- statistically significant