FitDock: protein-ligand docking by template fitting.
Xiaocong YangYang LiuJianhong GanZhixiong XiaoYang CaoPublished in: Briefings Bioinform. (2022)
Keyphrases
- ligand docking
- template matching
- protein sequences
- protein structure
- amino acids
- matching algorithm
- protein interaction data
- protein structure prediction
- fitting method
- subcellular localization
- mass spectrometry data
- protein folding
- protein function
- cellular processes
- molecular dynamics
- curve fitting
- protein protein interactions
- least squares
- sequence analysis
- data sets
- drug design
- contact map
- model fitting
- virtual screening
- molecular structures
- genetic algorithm
- residual errors
- neural network