Peptide mimetics as enzyme inhibitors: Use of free energy perturbation calculations to evaluate isosteric replacement for amide bonds in a potent HIV protease inhibitor.
Piotr CieplakPeter A. KollmanPublished in: J. Comput. Aided Mol. Des. (1993)
Keyphrases
- hiv protease
- free energy
- coarse grained
- amino acids
- human immunodeficiency virus
- fine grained
- protein sequences
- belief propagation
- protein protein interactions
- sequence analysis
- competitive learning
- fixed point
- upper bound
- approximate inference
- drug resistance
- linear support vector machines
- graphical models
- posterior distribution
- neural network
- high level
- protein structure
- semi supervised
- probability distribution
- lower bound
- bayesian networks
- feature selection