SARS-CoV-2 - part 1 - Thriving for a systematic target and hit ID effort
Gabriella outlined in previous posts (part I & part II) a few things about SARS-Cov-2. Back at the time the crisis was still far away from our daily lives but things have changed dramatically during the last weeks. After our initial communication to make 3decision.discngine.cloud freely available for all Covid-19 related collaboration projects we were contacted independently by several volunteers from academic and industrial groups to collaborate on a global effort. At the mean time a lot of novel initiatives have seen the day and everybody is publishing blog posts (like I am right now), linkedIn articles, chemarxiv or bioarxiv preprints etc. It’s a little bit a scientific wild-west happening right now on a global scale.
Discover 3decision® - Part 2: Creating a collaborative platform for Structure-Based Drug Discovery
As we explained in our previous article, the number of biomolecular structures available for computational analysis is increasing daily, which, for SBDD translates to ever-greater opportunities for discovery.
But wait, is that actually true?
2019-nCov, structurally speaking - part II
As a follow-up to my previous article 2019-nCoV, structurally speaking, I thought I’d share some of the news on the protein structure side and some insights from the structural analyses we’ve done at Discngine.
2019-nCov, structurally speaking
I guess nobody has missed the fact that we are in the middle of a new Coronavirus outbreak. In the beginning, I followed the updates from far, without going in too much detail. That was before I saw a LinkedIn post on a homology model of a 2019-nCoV protease last week.
What's New in 3decision® 2020.1?
We just released a new version of 3decision®. We've included new updates to Advanced Structural Search, Integrated Visualization & Collaboration. Check them out now!
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
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!
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?
Building the VMD molfile plugin
A brief walkthrough on how to compile the molfile plugin for VMD in order to use it for programming and integrating into your own code.
Discngine and AbbVie, winners of the Innovative Practices Award at Bio-IT 2019!
Discngine and AbbVie received BioIT World’s prestigious award Innovative Practices for the co-development of 3decision!
We're launching our very first Webinar!
On April 26th at 4 pm CET, we're broadcasting our very first live Webinar - Biomolecular structures: How to maximize the value of what you already have!
3decision 2018.3
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Added structure collections: Enabling superposition of unrelated structures
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New on-boarding tutorials
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Created structure relation
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Added GPCR annotations
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Added visualization of ligand contacts
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Search for in-house compounds
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Added detailed crystallographic information
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Enabled post-filtering of search results
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New RESTful endpoint for data download and structure registration
