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The molecule evoluator: an interactive evolutionary algorithm for designing drug molecules.

, , and . GECCO, page 1969-1976. ACM, (2005)

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Evolutionary algorithms for automated drug design towards target molecule properties., , , and . GECCO, page 1555-1562. ACM, (2008)Functional efficacy of adenosine A2A receptor agonists is positively correlated to their receptor residence time, , , and . British Journal of Pharmacology, 166 (6): 1846--1859 (2012)Deciphering conformational selectivity in the A2A adenosine G protein-coupled receptor by free energy simulations., , , , , , and . PLoS Comput. Biol., (2021)Combining and Comparing Cluster Methods in a Receptor Database., , , , and . IDA, volume 2810 of Lecture Notes in Computer Science, page 341-351. Springer, (2003)The molecule evoluator: an interactive evolutionary algorithm for designing drug molecules., , and . GECCO, page 1969-1976. ACM, (2005)Selecting an Optimal Number of Binding Site Waters To Improve Virtual Screening Enrichments Against the Adenosine A2A Receptor., , , , and . J. Chem. Inf. Model., 54 (6): 1737-1746 (2014)A novel chemogenomics analysis of G protein-coupled receptors (GPCRs) and their ligands: a potential strategy for receptor de-orphanization., , , , , , , , and . BMC Bioinform., (2010)Benchmarking of protein descriptor sets in proteochemometric modeling (part 2): modeling performance of 13 amino acid descriptor sets., , , , , , , and . J. Cheminformatics, (2013)3DDPDs: describing protein dynamics for proteochemometric bioactivity prediction. A case for (mutant) G protein-coupled receptors., , , , , , , and . J. Cheminformatics, 15 (1): 74 (December 2023)Using data mining to improve mutation in a tool for molecular evolution., , and . Congress on Evolutionary Computation, page 314-321. IEEE, (2005)