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Gazing at ML-193, a GPR55 antagonist: This GPCR ligand displays nanomolar inhibition with an improved selectivity profile over other related receptors. Furthermore, a total of three Chemical Spaces feature ML-193 as an exact match, among other relevant compounds in the remaining.

The most sophisticated covalent docking out there features convenient transformation of 36 most commonly used warheads in drug discovery. Read more about the covered warheads, handling of stereochemistry and available customization 🔻 biosolveit.de/2024/06/20/cov… #compchem #medchem

Here is your quick rundown on the just-released infiniSee 6.1 update: 🟦 R group search in the Motif Matcher 🟦 Generation of ad hoc libraries 🟦 Support of semi-metals (Ge, As, Sb, Te) 🟦 Distinct similarity columns in the Analyzer Mode 🟦 And many more biosolveit.de/2024/06/24/r-g…

Our next webinar highlights the new features of the most recent release of the drug discovery software platforms SeeSAR and infiniSee. We will talk about sophisticated covalent docking, Chemical Space exploration and much more. July 11 4pm Berlin Time biosolveit.de/webinar/new-fe…

The increasing interest in designing drugs that covalently bind to their target can hardly be neglected. This spreadsheet features 36 of the most common covalent warheads used in medicinal chemistry as well as their bound form after transformation. SeeSAR: biosolveit.de/download/?prod…

‼️ Important announcement: The beta testing stage for Chemical Space Docking ends August 31st, 2024 ‼️ Chemical Space Docking allows you to perform efficient, in-house hit candidate assessment of billions or even trillions on your own hardware. biosolveit.de/2024/07/19/dea…

New guest, new challenge: Episode #2 of "What The Drug!?" is coming up! Let's see how much we can achieve this time and leap into yet maybe unexplored drug discovery areas. Save-the-date: Wed, 14 Aug 2024, 16:00 CEST (Berlin) Register following the link 🔻 biosolveit.de/webinar/drug-d…

We have an exclusive launch offer to share! No commitment, no strings attached. Just pure, unfiltered access to trillions of compounds for 3 Months! Don't miss out on this limited-time opportunity! ⌛ biosolveit.de/2024/08/27/inf…

It is very sad to learn that Martin Karplus passed away on Dec 28 at age 94. He was a scholar and pioneering chemical physicist with great contributions in many areas including molecular dynamics. We interacted many times starting from my graduate time at Harvard. His legacy is