Optimization of parallel implementation of UNRES package for coarse-grained simulations to treat large proteins.
Adam K. SieradzanJordi Sans-DuñóEmilia A. LubeckaCezary CzaplewskiAgnieszka G. LipskaHenryk LeszczynskiKrzysztof M. OcetkiewiczJerzy ProficzPawel CzarnulHenryk KrawczykAdam LiwoPublished in: J. Comput. Chem. (2023)
Keyphrases
- parallel implementation
- coarse grained
- fine grained
- protein sequences
- protein structure prediction
- protein folding
- contact maps
- hiv protease
- parallel computation
- parallel computers
- computational biology
- amino acids
- distributed memory
- shared memory
- parallel implementations
- protein protein interactions
- natural language processing
- protein function
- amino acid sequences
- parallel algorithm
- access control
- information retrieval