October 2023 Newsletter

Welcome to the October Cresset Newsletter

Optimize your decision-making across the entire design-make-test-analyze (DMTA) cycle with this month's collection of CADD software features, expert scientific opinion, and first-class drug discovery research resources.

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Transforming the DMTA Cycle Through Enhanced Collaboration

In our recent thought leadership webinar with FierceBiotech, we explored the transformational role that technology can play within the changing working landscape of drug discovery. The webinar was chaired by our CEO, Rob Scoffin, who welcomed a panel of expert guest speakers, from a variety of drug discovery organizations for an insightful discussion. Catch up, via the session recording, and hear what they had to say

Free Energy Perturbation (FEP) on membrane targets: Capturing lipid exposed binding in the P2Y1 GPCR complex

In this case study, we demonstrate how careful systems preparation using Molecular Dynamics (MD) and water analysis, prior to FEP calculations can improve results and reduce the number of calculations required to obtain reliable and accurate predicted binding affinities.

A ligand-based approach to PDE10A activity prediction: Predictive QSAR models of a high-quality published data set

Activity prediction in drug discovery is typically reliant on the availability of a protein structure, and structure-based methods such as docking. In this case study, we reinforce the value of ligand-based methods, by demonstrating how 3D QSAR methods in Flare™ were used to generate predictive models of Phosphodiesterase 10A (PDE10A) activity.

Driving Optimization of Antibiotic Drug Design

The requirement to develop novel classes of antibiotics has never been greater. We discuss the challenges in navigating antibacterial drug design, and how intelligent computational technologies and approaches can be used to harvest valuable insights to accelerate discovery.

Vinter Suite official opening

We recently held the official opening of the Vinter Suite at our head office in Cambridgeshire, UK. Named after our founder, Andy Vinter, the Vinter Suite comprises flexible meeting and networking spaces.

External Conferences, Exhibitions & Events

Cresset are due to be attending, exhibiting, and/or presenting at the following events. Further details can be found via our upcoming events schedule.

CBI Annual Meeting 2023
23 - 26 October | Tokyo, Japan

SERMACS 2023
25 - 28 October | Durham, USA

4th World Congress on Drug Discovery & Development 2023
29 October | Bengaluru, India

Medicinal Chemistry Strategy Meeting East Coast USA 2023
08 November | Boston, USA

Chemist in Industry
15 November | London, UK

EFMC-ISCB International Symposium on Chemical Biology
16 - 18 November | London, UK

[VIEW OUR UPCOMING EVENTS SCHEDULE]