Benefit from TIBCO Spotfire Server REST APIs with the new release 5.2 of the Discngine Connector

In Spotfire release 7.13, TIBCO added this nice feature allowing developers to control Spotfire Automation Services via a new REST API endpoint. Then in Spotfire 10.2 was introduced a new REST API endpoint to let external applications upload SBDF-formatted data to the Spotfire library. With the new release 5.2 of the Discngine Connector, both REST APIs are accessible seamlessly from within Pipeline Pilot.

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ProductsClaire WallonComment
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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OpenForcefield 0.4.0 parametrization tests on XChem Data

I love MOE, it’s a great piece of software, but unfortunately it’s not free and now that I’m nor in academia, nor in a pharma company I find myself unable to further develop an approach I implemented in the past which is kind of frustrating to put it politely. The same goes for Amber.
So I started to look for alternatives, also under a gentle demand from Anthony (poking me regularly) who wanted to apply the whole approach in his fragment screening pipeline. That’s in the scope of the crazy impressive XChem project. If you haven’t heard / read about that check it out - it gives you a bit of an insight on what will be possible very near future in xray crystallography!

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TechGuest UserComment
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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