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software

a firework of releases: SeeSAR 9.2, CoLibri 4.3, FTrees 5.2, infiniSee 1.2, FlexX 4.1
August 15, 2019, 14:08

The last sprint before summer was really productive, so we can delight you with several updates. Here just a few highlights: SeeSAR can now export a pose-protein-complex together as an input for your MD simulation; CoLibri is able to process protection groups; infiniSee and FTrees have more functionalities to understand the similarities; FlexX allows you a rapid flexible docking as it is fully parallelised. Download the new versions and try! All our tools include a free 3 days trial license. After that period, you will be blocked from a new download for 7 days. But, of course, you can still request an evaluation license during that time.

software

Releases: SeeSAR 9.1, KNIME and Pipeline Pilot Interfaces
July 09, 2019, 12:07

Once again, following on from a major release, we are pleased to be able to provide you with an updated SeeSAR 9.1 comprising several enhancements both large and small.
The nodes of KNIME and Pipeline Pilot were adopted to the latest versions of our tools.
Your usual licenses remain valid for the updates.

challenge

Challenge winner publish paper and give webinar
June 05, 2019, 16:06

Our winners from the Summer2017 Scientific Challenge have the perfect timing: on Thursday, June 6, they will give a webinar about their project „computer‐assisted selective optimization of side‐activities ‐ from cinalukast to a PPARÎą modulator“. The respective paper was accepted on Monday. Congratulations Julius and Simone!
Register for their webinar, read the publication or meet them a the ASMC conference in Athens, when they redeem the travel grant they have won.

software

Releases: SeeSAR 9, infiniSee 1.1 and REALspace
May 23, 2019, 16:05

After the major SeeSAR 9 release last month, infiniSee 1.1 is out, which enables parallel & multi-space search. Try it together with the latest update of the REALspace and mine 11 BILLION compounds in just a fest minutes locally on your computer.

publication

“Next level in chemical space navigation” review
March 18, 2019, 14:03

Our new DDT review on chemical spaces is hot off the press. It is open access, so you can read it for free here. We are very proud to have contributed to some of the mentioned spaces.

software

launch of infiniSee — unlimited accessibles
March 14, 2019, 14:03

Our new platform infiniSee makes chemical space navigation in billions of tangible molecules possible — in the user-friendly way you know from us: infiniSee unites ultra-fast searching in huge chemical spaces, visualizes local pharmacophore-like matches, and is strikingly easy to use. Drag & drop your query, press 'Go!'.

Within a few minutes, infiniSee mines interesting molecules from chemical spaces, e.g. from Enamine REAL Space (updated now with more than 5 billion molecules), your inhouse space (such as Merck's MASSIV with 1020), or our publicly available KnowledgeSpace (1015). In the case of Enamine REAL Space, usually more than 85% of the hits will be synthetically accessible and delivered to your lab.
Want to try? Get your copy!

software

New CSD based ReCore index
March 08, 2019, 13:03

A brandnew fragment library („index“) based on CCDC’s February 2019 CSD content is out now. More than 2.4 million fragments represent a huge pool for your fragment-based drug discovery. Use SeeSARÂŽ to conduct rescaffolding, linking/merging, or fragment evolution.
To download the new packages CSD subscribers please visit the website.

event

Upcoming events
February 08, 2019, 11:02

After an exiting start to 2019 with travels to India and the USA, more interesting events are approaching in the first half of this year:

We are looking forward to meeting many good scientists for inspiring discussions!

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