ALMOST: An all atom molecular simulation toolkit for protein structure determination.
Biao FuAleksandr B. SahakyanCarlo CamilloniGian Gaetano TartagliaEmanuele PaciAmedeo CaflischMichele VendruscoloAndrea CavalliPublished in: J. Comput. Chem. (2014)
Keyphrases
- protein structure
- protein structure prediction
- nuclear magnetic resonance
- protein sequences
- molecular biology
- protein protein
- secondary structure
- protein tertiary structure
- van der waals
- protein function prediction
- molecular dynamics
- protein structural
- protein folding
- computational biology
- computational approaches
- amino acid sequences
- graph theory
- protein structure alignment
- three dimensional
- molecular dynamics simulations
- machine learning
- statistically significant
- high quality