TwoFold: Highly accurate structure and affinity prediction for protein-ligand complexes from sequences.
Darren J. HsuHao LuAditya KashiMichael A. MathesonJohn GounleyFeiyi WangWayne JoubertJens GlaserPublished in: Int. J. High Perform. Comput. Appl. (2023)
Keyphrases
- highly accurate
- contact map
- physicochemical properties
- drug design
- capable of producing
- high accuracy
- prediction accuracy
- contact maps
- sequence similarity
- multiple sequence alignments
- subcellular localization
- accurate models
- sequence alignment
- high quality
- molecular structures
- protein structure prediction
- amino acids
- physico chemical
- hidden markov models
- pairwise
- sequence databases
- protein sequences
- protein complexes
- multiple sequence alignment
- structural motifs
- protein interaction
- protein protein interactions
- protein secondary structure
- high throughput
- network structure