3DDPDs: describing protein dynamics for proteochemometric bioactivity prediction. A case for (mutant) G protein-coupled receptors.
Marina Gorostiola GonzálezRemco L. van den BroekThomas G. M. BraunMagdalini ChatzopoulouWillem JespersAdriaan P. IJzermanLaura H. HeitmanGerard J. P. van WestenPublished in: J. Cheminformatics (2023)
Keyphrases
- protein sequences
- contact map
- protein structure prediction
- subcellular localization
- prediction accuracy
- protein secondary structure
- drug discovery
- dynamic model
- protein homology
- drug design
- protein interaction
- differential evolution
- multiple sequence alignments
- amino acids
- physico chemical
- protein tertiary structure
- case base
- prediction error
- cellular processes
- protein classification
- evolutionary algorithm
- prediction model