Populating Chemical Space with Peptides Using a Genetic Algorithm.

Abstract excerpt

In drug discovery, one uses chemical space as a concept to organize molecules according to their structures and properties. One often would like to generate new possible molecules at a specific location in the chemical space marked by a molecule of interest. Herein, we report the peptide design genetic algorithm (PDGA, code available at https://github.com/reymond-group/PeptideDesignGA ), a computational tool...

Topics

• Algorithms
• Amino Acid Sequence
• Molecular Conformation
• Mutation
• Peptides