Visual and easy-to-use computer help for staying critical in structure-based design

webinar

Tue, 11 Aug 2015, 16:00 CEST (Berlin)

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

Visual and easy-to-use computer help for staying critical in structure-based design

We tend to believe that PDB files are a message from God. — This recent statement from
blogger and Vertex scientist Dr. Derek Lowe ironically captures the danger of getting lost in false assumptions when working with crystal structure data.

We will use free tools and ours in this webinar to give you assistance in checking whether you are still on solid grounds with your work – or not. Be it crystal artifacts recorded, insecure assignments of N vs O vs C, wishful thinking in prior art – or just something unusual which might still be ok – There are very simple-to-use, visual indicators which we can use in our everyday work to alert us when things might get flakey.

Come and join us for minimum input and maximum output.

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