Lundbeck selects Discngine’s 3decision® platform
Products Eric Le Roux Products Eric Le Roux

Lundbeck selects Discngine’s 3decision® platform

Lundbeck selects Discngine’s 3decision® platform to leverage complex protein-ligand 3D structure data in the discovery of new treatments for brain diseases .
Lundbeck will benefit from significantly faster, more efficient structural knowledge analysis, thanks to instant access to the cloud platform

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Using Adobe XD for Scientific Web app development - do your mockups
Products, ScienceBlog, TechBlog Peter Schmidtke Products, ScienceBlog, TechBlog Peter Schmidtke

Using Adobe XD for Scientific Web app development - do your mockups

This time around you won’t see any source code. Sorry about that, next time maybe.

Here I’ll talk more about sometimes overlooked aspects when developing applications for R&D in life sciences. So I guess this post might be useful to our competitors or people developing applications within large corporations in the life science & pharma industry … anyway ;)

I’ll take the example of our current 3decision developments. You might have heard or read about 3decision already before. If not, check it out - 3decision .. it’s super cool!

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Tethered minimization of small molecules with RDKit
ScienceBlog, TechBlog Peter Schmidtke ScienceBlog, TechBlog Peter Schmidtke

Tethered minimization of small molecules with RDKit

I think that’s my first RDKit post! So reason to celebrate!

Here' I’ll focus on a very nice feature available in Open Source Software and very useful in daily structure based but even ligand based drug design tasks.

The problem

How can I dock small molecules into a receptor and avoid as much as possible the “what is the right pose” problem?

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3decision 2018.3
Release Note Peter Schmidtke Release Note Peter Schmidtke

3decision 2018.3

  • Added structure collections: Enabling superposition of unrelated structures

  • New on-boarding tutorials

  • Created structure relation

  • Added GPCR annotations

  • Added visualization of ligand contacts

  • Search for in-house compounds

  • Added detailed crystallographic information

  • Enabled post-filtering of search results

  • New RESTful endpoint for data download and structure registration

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