To help chemists design new drugs, we created a tool that uses interactive evolution to design drug molecules, the “Molecule Evoluator”. In contrast to most other evolutionary...
Eric-Wubbo Lameijer, Adriaan P. IJzerman, Joost N....
We present a new representation for a genetic algorithm to evolve molecular structures representing possible drugs that bind to a given protein target receptor. Our representation...
Abstract-- This article describes the Candidate Design Environment we developed for efficient identification of promising drug candidates. Developing effective drugs from active mo...
M. Ihsan Ecemis, J. Wikel, C. Bingham, Eric Bonabe...
Molecular docking software makes computational predictions of the interaction of molecules. This can be useful, for example, in evaluating the binding of candidate drug molecules ...
Christopher D. Rosin, R. Scott Halliday, William E...