Introduction to Cresset technology, software and services

Date: Tuesday 12th December

Time: 14:00 - 15:00

Venue: Part II room, Department of Genetics, Downing Site, CB2 3EH

Dr Martin Slater, Director of Cresset Consulting Services (http://www.cresset-group.com), will give an overview of the technology that underpins Cresset software and introduce the computational services offered.

Cresset’s science involves applying a unique, fast and accurate technique for defining the shape and electrostatic features that control molecular recognition. These processes are fundamental in understanding protein-ligand interactions, protein-protein interactions and define much of the physical property characteristics of both.

"Typically, we use these methods for analysing ligand structure-activity patterns. We often perform large scale 3D molecular similarity calculations - involving millions of compounds - as a highly efficient and cost-effective way to find novel active chemical matter. These are often, purely from ligand only data - but can also equally begin from analysis of the protein sequence or structural data. Similar approaches can be used to understand antibody binding or protein-protein interactions. Using computational models enables us to predict favourable mutations, mimic proteins with ligands, and design new active species that progresses projects faster than using laboratory data alone."

Cresset Discovery Services have been working with Dr David Summers and Dr Ashraf Zarkan from the Department of Genetics, University of Cambridge, on a project to conduct searches to identify potential antagonists of the bacterial enzyme Tryptophanase using Cresset’s proprietary computational chemistry software.  As part of the University of Cambridge Biomedical Research Exchange Programme, Cresset is collaborating with the Summers Group through scientific seminars and access to its proprietary software.

This is the first of two talks designed to highlight:

1. The background to the scientific collaboration
2. The actual work done for this Research Exchange project

There is no need to book, simply turn up on the day. There will also be an opportunity for informal Q&A witht the team in the Genetics tea room after the talk.