A new soft-core potential function for molecular dynamics applied to the prediction of protein loop conformations.
Kirsi TappuraMaija Lahtela-Kakkonen TelemanPublished in: J. Comput. Chem. (2000)
Keyphrases
- molecular dynamics
- protein folding
- potential functions
- protein structure prediction
- protein structure
- molecular dynamics simulations
- high performance computing
- markov random field
- segmentation method
- protein sequences
- computer systems
- scientific data
- secondary structure
- optical flow
- query processing
- pairwise
- machine learning