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....
Background: Knottins are small, diverse and stable proteins with important drug design potential. They can be classified in 30 families which cover a wide range of sequences (1621...
High-Throughput Docking has emerged as a well establish method for identifying lead components in the process of searching for new drugs. The High-Throughput Docking Service provi...
Joseph Gill, Legand L. Burge III, Zengjian Hu, Wil...
We show that the support vector machine (SVM) classification algorithm, a recent development from the machine learning community, proves its potential for structure
Robert Burbidge, Matthew W. B. Trotter, Bernard F....
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...