A structure-guided approach for protein pocket modeling and affinity prediction.
Rocco VarelaAnn E. ClevesRussell SpitzerAjay N. JainPublished in: J. Comput. Aided Mol. Des. (2013)
Keyphrases
- contact map
- prediction accuracy
- subcellular localization
- protein secondary structure
- molecular structures
- drug design
- predictive modeling
- remote homology detection
- contact maps
- neural network
- prediction algorithm
- prediction model
- structural information
- protein sequences
- tree structure
- physicochemical properties
- pairwise
- bayesian networks