From sample preparation to use of quantum chemical software tools, learn how vibrational circular dichroism (VCD) streamlines chiral analysis in the R&D analytical support lab
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Determining the absolute configuration of small molecules is important early in the drug discovery process. The traditional methodology, X-ray analysis, requires a single crystal. Unfortunately, crystallisation of early-stage molecules can be problematic and time consuming. During this hour-long webinar with guest speaker Kimberly Yach, we explore an alternative.
Vibrational circular dichroism (VCD) can determine absolute stereochemistry of small molecules in solution. In addition, with access to commercial VCD instruments and accompanying software tools, this data can now be acquired in a general analytical lab setting without requiring an expert user or extensive training.
Kimberly presents examples of VCD studies in an R&D analytical support lab, showing you how to get the most out of this technique. She then explains how VCD fits into the routine pharma workflow and the medicinal chemical laboratory. Finally in the recording, we look at examples which highlight observations on sample preparation and the use of quantum chemical software tools.
By the end of this webinar recording you will have learned…
- How VCD fits into the routine pharma and medicinal chemical workflow
- How to determine absolute configuration of chiral molecules in solution, without crystallisation
- How to easily combine computational chemistry with experimental measurements
- Best practices for VCD, from sample preparation through data collection to stereochemical structure
Kimberly Yach: Senior scientist in analytical chemistry
Schrödinger is transforming the way therapeutics and materials are discovered. Schrödinger has pioneered a physics-based software platform that enables discovery of high-quality, novel molecules for drug development and materials applications more rapidly and at lower cost compared to traditional methods. The software platform is used by biopharmaceutical and industrial companies, academic institutions, and government laboratories around the world. Schrödinger’s multidisciplinary drug discovery team also leverages the software platform to advance collaborative programs and its own pipeline of novel therapeutics to address unmet medical needs.