Protein-Ligand Docking against Non-Native Protein Conformers.
Marcel L. VerdonkPaul N. MortensonRichard J. HallMichael J. HartshornChristopher W. MurrayPublished in: J. Chem. Inf. Model. (2008)
Keyphrases
- protein structure
- protein sequences
- amino acids
- subcellular localization
- protein structure prediction
- contact map
- predicting protein
- amino acid sequences
- mass spectra
- neural network
- protein folding
- protein interaction data
- molecular dynamics
- mass spectrometry data
- dna binding
- dead end
- physico chemical
- tandem mass spectra
- sequence analysis
- cellular processes
- protein function
- protein interaction networks
- multiple sequence alignment
- protein interaction
- drug discovery
- protein protein interactions
- machine learning