Solvated Interaction Energy (SIE) for Scoring Protein-Ligand Binding Affinities, 1. Exploring the Parameter Space.
Marwen NaïmSathesh BhatKathryn N. RankinSheldon DennisShafinaz F. ChowdhuryImran SiddiqiPiotr DrabikTraian SuleaChristopher I. BaylyAraz JakalianEnrico O. PurisimaPublished in: J. Chem. Inf. Model. (2007)
Keyphrases
- parameter space
- drug design
- high dimensional
- image space
- virtual screening
- protein protein
- protein interaction
- starting points
- drug discovery
- energy consumption
- parameter values
- search space
- protein structure prediction
- protein protein interactions
- pairwise
- dna binding
- multivariate data
- protein sequences
- low energy
- lie group
- amino acids
- hough space
- predicting protein
- linear transformations
- finite set of points
- high throughput
- human computer interaction
- interaction networks
- protein function
- protein structure
- target function
- gene expression
- binding sites