About this document
Lamarckian Genetic Algorithm for Docking by taoufik akabli is a document available to read on EtoBox.
This document describes improvements made to the automated docking software AUTODOCK. Specifically, it introduces: 1) Three new search methods - a genetic algorithm, local search method, and a Lamarckian genetic algorithm - to more efficiently sample the large search space of possible ligand conformations and bindings. 2) A new empirical binding free energy function calibrated using known protein-ligand complexes, allowing the software to now predict binding affinities and constants rather than just rank
- Author
- taoufik akabli
- Language
- EN