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This is the recorded session of the workshop Mestrelab given by Mestrelab CEO, Santi Dominguez in April 2020.

This webinar will demonstrate a new capability for chemists to elucidate 3D structure of their molecules for themselves, using a comprehensive set of tools integrated together as a plugin for Mnova NMR.  Using readily available NMR constraints it will be shown how simple it is to extract a best-fit from a set of conformers or stereoisomers in a very short amount of time.

Adequate characterization of chemical entities made for biological screening in the drug discovery context is critical. Incorrectly characterized structures lead to mistakes in the interpretation of structure–activity relationships and confuse an already multidimensional optimization problem.

Machine learning (ML) methods have been present in the field of NMR since decades, but it has experienced a tremendous growth in the last few years, especially thanks to the emergence of deep learning (DL) techniques taking advantage of the increased amounts of data and available computer power.

We had a very exciting webinar about a hot topic in the NMR field, Higher Order Structure (HOS) analysis of biotherapeutic proteins. Dr. Donna Baldisseri (Bruker) described recently developed and optimized acquisition techniques. Dr. Mike Bernstein (Mestrelab) showed how data can be easily processed and analysed with the recently launched Mnova BioHOS plugin

We want to share with you some of the pictures taken at the Mestrelab party in the Hard Rock Cafe in Porto – SMASH NMR 2019

Mnova 14.1 includes the option of purchasing two new plugins: Mnova Gears and Mnova BioHOS,  but is also packed with new features, improved algorithms and plenty […]

Therapeutic pharmaceuticals (drugs) have witnessed a sea change in recent years. The large, dominant group of drugs derived from synthetic, small molecules has been joined by a new type of drug that has been very effective with diseases that were previously untreatable.