Lead the field

Work with precision at unrivaled speed to make informed decisions backed up by science. To meet the challenges of modern drug discovery, take advantage of BioSolveIT’s detailed and precise results — without compromise. We will address every step of your needs, from start to finish.

Discover with confidence

Profit from our long-standing experience and collaboration history with Fortune 100 pharma companies and academia. Our secure software has been developed and backed by renowned partners - including BAYER, Roche, Merck, BASF, and others. BioSolveIT’s success record is cited in thousands of publications worldwide.
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Start right away

BioSolveIT’s technology is fine-tuned for the needs of the pharma industry, academics, beginners, and veterans alike. Clean and comprehensive user interface removes the need for a learning curve. Easy access fostered by intuitive operation will maximize the likelihood of your success. Simply download the multiplatform software and discover active molecules!
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Experience drug discovery

Evolve the way you approach drug design, with the most liberating breakthrough. The stimulating interface creates a dialog between you and your compound where you can see why something is considered good or bad. Clean visualization combined with scientific finesse mold into a fun-to-use drug design experience.

Current news

Crystallographic Fragment Screening at BESSY II — From Hits to Improved Binders
Thu, 24 Nov 2022, 16:00 CET
When fragment screening is carried out using X-ray crystallography it reveals the 3D-position of the fragment hits inside the protein’s binding site. This additional information of the fragment’s position is highly valuable for further improvement of the usual “low-affinity fragments” to create binders of higher potency. By combining fragment-based and...
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Integrated Strategy for Hit-to-Lead Optimization: The 'DOTS' approach
Thu, 27 Oct 2022, 16:00 CEST
In recent decades, the identification of hits has been greatly facilitated by advances in high throughput screening (HTS) and the design of chemical libraries. It would be wishful to optimize the automation of the ‘hit-to-lead’ (H2L) process. Xavier will present an integrated strategy for the H2L optimization phase and the...
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Molecular Superpositioning with the Similarity Scanner
October 14, 2022 11:02 CEST
Molecular superpositioning of small molecules is one of the pillars of ligand-based drug discovery (LBDD). In LBDD cheminformatics methods are applied to 3D align a molecule set with a query structure based on tool criteria, e.g., motifs, interaction features, and substructures. Subsequently, the 3D alignment can be exploited to investigate...
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