Performance Analysis of Different Computational Architectures: Molecular Dynamics in Application to Protein Assemblies, Illustrated by Microtubule and Electron Transfer Proteins.
Vladimir A. FedorovEkaterina G. KholinaIlya B. KovalenkoNikita B. GudimchukPublished in: Supercomput. Front. Innov. (2018)
Keyphrases
- molecular dynamics
- protein folding
- molecular dynamics simulations
- protein structure
- amino acids
- protein sequences
- scientific data
- high performance computing
- protein function
- databases
- protein protein interactions
- protein protein interaction networks
- subcellular localization
- mass spectrometry
- amino acid sequences
- data generation
- data collection
- protein interaction data