PLA-MoRe: A Protein-Ligand Binding Affinity Prediction Model via Comprehensive Molecular Representations.
Qingyu LiXiaochang ZhangLianlian WuXiaochen BoSong HeShengqi WangPublished in: J. Chem. Inf. Model. (2022)
Keyphrases
- prediction model
- virtual screening
- drug design
- drug discovery
- protein protein
- similarity searching
- protein protein interactions
- regression model
- computational methods
- protein structure prediction
- high throughput
- bp neural network
- hiv protease
- molecular structures
- binding sites
- dna binding
- protein sequences
- interaction networks
- wavelet neural network
- molecular dynamics
- response surface methodology
- protein structure
- software reliability
- protein function
- neural network
- scoring function
- exponential smoothing
- predictive model
- protein complexes
- mass spectrometry
- predicting protein
- fuzzy neural network
- customer churn
- molecular dynamics simulations
- chemical reactions
- protein folding
- systems biology
- computational biology
- dna sequences
- gene expression
- similarity search