DLIGAND2: an improved knowledge-based energy function for protein-ligand interactions using the distance-scaled, finite, ideal-gas reference state.
Pin ChenYaobin KeYutong LuYunfei DuJiahui LiHui YanHuiying ZhaoYaoqi ZhouYuedong YangPublished in: J. Cheminformatics (2019)
Keyphrases
- simulated annealing
- global minimum
- energy function
- genetic algorithm
- energy minimization
- graph cuts
- evolutionary algorithm
- markov random field
- protein protein
- drug design
- active contours
- level set
- shape model
- segmentation method
- hopfield neural network
- maximum a posteriori
- regularization term
- image intensity
- state space
- problems in computer vision
- belief propagation
- protein protein interactions
- protein sequences
- reconstruction process
- mass spectrometry
- interaction networks
- image segmentation