“Introducing Mnova StereoFitter, an integrated workflow for conformational and configurational analysis of small molecules in solution”
Our colleague Dr. Mark Dixon demonstrated a new capability to elucidate 3D structures using a comprehensive set of tools integrated together as a plugin for Mnova NMR.
Abstract
This webinar demonstrated a new capability for chemists to elucidate the 3D structure of their molecules using a comprehensive set of tools integrated as a plugin for Mnova NMR. It showed how simple it is to use readily available NMR constraints to extract a best-fit from a set of conformers or stereoisomers in a very short amount of time.
What to expect
A demonstration of the software using multiple examples, along with contextual commentary on the benefits to the chemist of such an approach.
Key points
- Determine 3D structure of molecules in solution.
- Conformational or configurational analysis.
- Constraints include NOEs, Js, RDCs, and/or predicted chemical shifts.
Who should attend?
- Pharma & Biotech researchers who need 3D structural insight into their drug candidates in solution.
- Educators of undergraduate and postgraduate classes.
- Academics working with 3D structural problems.
Speaker
Mark Dixon
Senior Account Manager & BD (US & Canada)
Dr. Mark Dixon got his Ph.D. in Organic Chemistry at Nottingham University. Mark cut his teeth in Pharmaceutical R&D as an NMR Spectroscopy specialist at Fisons, then Astra, which finally morphed into AstraZeneca. Then he worked for Varian in Palo Alto working with the Applications team followed by a move to Marketing in the role of Software Product Manager. After Varian’s demise he worked as Product Manager for Thermo Fisher Scientific’s picoSpin NMR spectrometer, before starting at Mestrelab Research in late 2016.