Living a dream: in silico L.O. for MedChems

webinar

Thu, 30 Apr 2015, 16:00 CEST (Berlin)

Dr. Marcus Gastreich, BioSolveIT GmbH, St. Augustin, Germany

Living a dream: in silico L.O. for MedChems

Leave modeling to the experts! — Today’s working conditions put pressure on this mantra:
Research must live with less workforce and faster results are expected; on the other hand, new algorithms, visualization and more have emerged which make it not only attractive but very sensible to put parts of computation in the hands of non-experts.

This leverages chemical intuition, takes workload off the experts, and lets everyone concentrate on one’s strengths.

Imagine, you would see and understand SAR at an atomic level, you would on-the-fly decide upon the next best move in the battle against cancer, depression, and superbugs. Imagine, you would have torsions are marked as ‘be careful!’, imagine on-the-fly proposal support for your next round of compounds is delivered in situ. All this with apt protonation & tautomers — and compatible with your budget.

We have this for you. Let us show you how to live it today!

Current news

What's So Special About The 'Activity Spotter'? Detailed Insights Into SeeSAR's New Mode
April 29, 2026 10:22 CEST
SeeSAR’s Activity Spotter Mode is designed to dismantle the barrier of raw data and actionable SAR. It helps to answer the most relevant fields in hit-to-lead and lead optimization campaigns: 3D SAR and pharmacophore modeling. Which structural features in my molecule set are associated with activity? Which ones are linked...
Read on
Tool of the Month - FlexX
April 29, 2026 08:53 CEST
Spring is Molecular Docking Season The bread and butter of computational chemistry: predicting potential binding modes, which serves as a crucial foundation for SAR analysis and design decisions, is being made available to everyone this month with the proprietary docking tool FlexX. Validated by over 10,000 citations of its original...
Read on
The 95 Billion Update: Access the REAL Space
April 9, 2026 13:57 CEST
The latest update of Enamine’s REAL Space brings a new expansion, now featuring over 94.5 billion accessible, drug-like products, approaching the 100 billion mark. Built from 173 curated reaction protocols and 202,620 in-stock reagents and building blocks based on Enamine’s in-house knowledge, this version further enhances the world’s largest commercially...
Read on