Ligand-Binding-Site Refinement to Generate Reliable Holo Protein Structure Conformations from Apo Structures.
Hugo GuterresSang-Jun ParkWei JiangWonpil ImPublished in: J. Chem. Inf. Model. (2021)
Keyphrases
- protein structure
- protein protein
- experimentally determined
- binding sites
- protein sequences
- molecular biology
- protein function
- secondary structure
- virtual screening
- amino acids
- protein structure prediction
- amino acid sequences
- computational approaches
- sequence data
- nuclear magnetic resonance
- protein tertiary structure
- transcription factors
- protein structure alignment
- contact map
- predicting protein
- data mining
- sequence alignment
- statistical significance
- dna sequences
- early stage