“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.
Wednesday April 8, 2020
11:30 am EDT | 5:30 pm CEST
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.