BLEEP - potential of mean force describing protein-ligand interactions: II. Calculation of binding energies and comparison with experimental data.
John B. O. MitchellRoman A. LaskowskiAlexander AlexMark J. ForsterJanet M. ThorntonPublished in: J. Comput. Chem. (1999)
Keyphrases
- experimental data
- protein protein
- dna binding
- drug design
- dynamic model
- protein sequences
- protein protein interactions
- virtual screening
- protein interaction
- cellular processes
- finite element model
- protein structure
- mass spectrometry
- binding sites
- interaction networks
- markov random field
- computational methods
- mathematical models
- high throughput
- amino acids
- transcription factor binding sites
- contact map
- energy function
- graph cuts