January 10, 2022 -- BioTools is collaborating with Schrödinger to improve the process of identifying three-dimensional chiral stereo structures using Schrödinger's physics-based software platform. Combining BioTools' experimental results with calculations derived from Schrödinger's quantum chemistry engine Jaguar can allow chemists to determine the absolute configuration rapidly.
BioTools has developed a vibrational circular dichroism (VCD) technology and provides proprietary instrumentation and analytical services for structure elucidation of chiral molecules.
A molecule with a chiral center exists in one of two mirror-image forms, which can exhibit different biological properties. Identification of the molecule's stereo configuration, or handedness, is known as the determination of absolute configuration. It can be achieved via VCD technology, which includes both experimental measurements and theoretically predicted results, the firm said.
For over 21 years, the VCD method has been an alternative or replacement to traditional x-ray crystallography. VCD technology does not require a single crystal, and it requires a very low quantity of material that can be easily recovered. VCD has been published as a standard method in the U.S. Pharmacopeia, and approximately 10,000 absolute configurations have now been determined with VCD.
Financial details of the collaboration were not disclosed
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