From drug target to lead molecules: computational methods in fragment-based design

webinar

Thu, 20 Feb 2014, 17:00 CET (Berlin)

From drug target to lead molecules: computational methods in fragment-based design

Computational tools are invaluable in the process of identifying fragment hits. In this one hour BioSolveIT webinar you will initially learn how to fast-track your fragment hit discovery, and by the end understand how to build on these hits to identify potent and synthetically accessible lead-like molecules.

Current news

category
Publications
New Publication: Strategies for Identifying Molecules of Interest in Large Chemical Spaces
July 14, 2026 11:25 CEST
In collaboration with Pfizer, our team recently published a study in the Journal of Chemical Information and Modeling. The work represents fundamental research into molecular similarity, extended to ultra-large, combinatorial Chemical Spaces. Read the Full Publication (Open Access) Which Central Questions Were Addressed? Which similarity-score thresholds are meaningful? How do...
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category
Challenge
Dylan Capitti Fenton Wins Scientific Challenge Summer 2025!
July 13, 2026 11:50 CEST
It is our greatest pleasure to announce the winner of the Summer 2025 edition of the Scientific Challenge: the winner is Dylan Capitti Fenton of California State University, Northridge (Van Nuys, United States) with his project ‘Structure-Based Drug Discovery of Bitter Taste Receptor Agonists for GLP-1 Release’. Focusing on the...
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Tool of the Month - FlexS
June 30, 2026 10:59 CEST
This Summer, You Wear Molecule Alignment This July, see Similarity in 3D with FlexS as BioSolveIT’s Tool of the Month. In ligand-based drug discovery, the most interesting molecules are not always the ones that look similar on paper. Sometimes, the true connection only becomes visible in 3D. FlexS helps uncover...
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