Modeling protein structures from predicted contacts with modern molecular dynamics potentials: accuracy, sensitivity, and refinement.
Russell B. DavidsonMathialakan ThavappiragasamT. Chad EfflerJess WoodsDwayne A. EliasJerry M. ParksAda SedovaPublished in: BCB (2021)
Keyphrases
- protein structure
- molecular dynamics
- solvent accessibility
- protein folding
- protein sequences
- prediction accuracy
- secondary structure
- protein structure and function
- experimentally determined
- amino acid sequences
- contact maps
- database
- high performance computing
- data generation
- scientific data
- pairwise
- machine learning
- protein tertiary structure