sDMD: An open source program for discontinuous molecular dynamics simulation of protein folding and aggregation.
Size ZhengLeili JavidpourMuhammad SahimiKatherine ShingAiichiro NakanoPublished in: Comput. Phys. Commun. (2020)
Keyphrases
- molecular dynamics
- protein folding
- open source
- molecular dynamics simulations
- annealing algorithm
- amino acids
- secondary structure
- high performance computing
- coarse grained
- protein sequences
- building blocks
- fine grained
- protein structure
- scientific data
- database
- computational methods
- shared memory
- access control
- response time
- image sequences
- database systems