Hybrid Genetic Algorithms for Flexible Ligand Docking.

Date of Submission

December 2004

Date of Award

Winter 12-12-2005

Institute Name (Publisher)

Indian Statistical Institute

Document Type

Master's Dissertation

Degree Name

Master of Technology

Subject Name

Computer Science


Machine Intelligence Unit (MIU-Kolkata)


Ghosh, Ashish (MIU-Kolkata; ISI)

Abstract (Summary of the Work)

The present dissertation attempts to employ hybrid genetic algorithms (GAS: ta solve the flerible-ligand docking problem i.e. predicting the binding conformation oi a flexible ligand molecule into a rigid protein. Our hybrid GA scheme uses the concept of Lamarckian genetics to perform a local search about an individual. followed by replacing it with a better soiution found in its neighborhood. Two local search schemes have been investigated and their performance relative to the standard GA have been compared. Preliminary results obtained on a set of three protein-ligand complexes have shown promising results.


ProQuest Collection ID: http://gateway.proquest.com/openurl?url_ver=Z39.88-2004&rft_val_fmt=info:ofi/fmt:kev:mtx:dissertation&res_dat=xri:pqm&rft_dat=xri:pqdiss:28843292

Control Number


Creative Commons License

Creative Commons Attribution 4.0 International License
This work is licensed under a Creative Commons Attribution 4.0 International License.



This document is currently not available here.