Accelerating prediction of chemical shift of protein structures on GPUs: Using OpenACC.
Eric WrightMauricio H. FerratoAlexander J. BryerRobert SearlesJuan R. PerillaSunita ChandrasekaranPublished in: PLoS Comput. Biol. (2020)
Keyphrases
- protein structure
- protein tertiary structure
- contact map
- experimentally determined
- protein structure prediction
- contact maps
- protein secondary structures
- secondary structure
- protein sequences
- molecular biology
- physico chemical
- prediction accuracy
- protein structure and function
- amino acids
- predicting protein
- amino acid sequences
- nuclear magnetic resonance
- protein structure alignment
- computational approaches
- protein function
- solvent accessibility
- drug design
- social networks