KDEEP: Protein-Ligand Absolute Binding Affinity Prediction via 3D-Convolutional Neural Networks.
José JiménezMiha SkalicGerard Martínez-RosellGianni De FabritiisPublished in: J. Chem. Inf. Model. (2018)
Keyphrases
- drug design
- convolutional neural networks
- protein structure prediction
- subcellular localization
- protein secondary structure
- drug discovery
- mhc class ii
- contact map
- protein protein
- protein interaction
- prediction accuracy
- dna binding
- predicting protein
- virtual screening
- convolutional network
- protein protein interactions
- contact maps
- binding sites
- protein sequences
- protein homology
- protein secondary structure prediction
- hiv protease
- protein structure
- remote homology detection
- protein tertiary structure
- amino acids
- protein chains
- major histocompatibility complex
- gene prediction
- protein interaction data
- genomic sequences
- protein function
- protein folding
- coarse grained
- computational methods
- prediction model
- fine grained