Alpha7 nicotinic acetylcholine receptor agonists: Prediction of their binding affinity through a molecular mechanics Poisson-Boltzmann surface area approach.
Giovanni GraziosoAndrea CavalliMarco De AmiciMaurizio RecanatiniCarlo De MicheliPublished in: J. Comput. Chem. (2008)
Keyphrases
- hiv protease
- prediction accuracy
- prediction model
- coarse grained
- drug discovery
- prediction error
- protein structure prediction
- negative binomial
- drug design
- fine grained
- prediction algorithm
- closed form
- sequence analysis
- pairwise
- spherical harmonics
- signaling pathways
- protein function prediction
- molecular structures
- neural network