Computation of Binding Energies Including Their Enthalpy and Entropy Components for Protein-Ligand Complexes Using Support Vector Machines.
Chaitanya A. K. KoppisettyMartin FrankGraham J. L. KempPer-Georg NyholmPublished in: J. Chem. Inf. Model. (2013)
Keyphrases
- drug design
- protein protein
- virtual screening
- protein complexes
- drug discovery
- protein protein interactions
- protein sequences
- graph cuts
- building blocks
- information theoretic
- protein structure prediction
- information theory
- protein structure
- high precision
- protein interaction
- markov random field
- dna binding
- molecular dynamics
- predicting protein
- transcription factor binding sites
- energy function
- higher order
- computational methods
- high throughput