February 2023 Newsletter

Welcome to the February Cresset Newsletter

Another month at Cresset has flown by and we have plenty to share with you once again. Behind the scenes, our software developers have been busy recently, updating Spark™ to expand its available chemistry.

Beyond this, we’re very proud to be sharing career stories from our female employees, in celebration of last week’s Women and Girls in Science Day. We’d also love to hear from you this month, as part of our newsletter survey: offering you the chance to shape future content ideas and topics.

Below you’ll also find the details of two exciting Cresset webinars, now open for registration, alongside a full range of scientific updates spanning open-source software, protein degradation therapeutics, and some recent updates to the Torx® DMTA platform. We're also hiring across a full range of business disciplines- could one of our open positions be the ideal next step in your career journey?

You can subscribe to our monthly newsletter list if you'd like to receive these monthly updates via email.

New Spark Databases

New fragment databases have been made available to expand the available chemistry within our popular scaffold hopping software platform, Spark. This latest release (V10.7) includes new fragments derived from ‘ChEMBL’ version 30 and previously unseen Spark ‘SureChEMBL’ databases which are derived from chemical patents. Existing Spark customers can update their databases today.

Australian Program for Drug Repurposing for Treatment Resistant Ovarian Cancer

The Australian Program for Drug Repurposing for Treatment-Resistant Ovarian Cancer is currently working with Cresset Discovery, as part of a world-first drug repurposing program for ovarian cancer.

In this upcoming webinar session, we look forward to welcoming Professor Nikola Bowden at the University of Newcastle, to speak about this project, alongside our Director of Consulting, Martin Slater. [Book now]

Using Molecular Dynamics to Produce an Ensemble of Protein Confirmations

Traditional computational docking simulations of protein-ligand binding poses are limited as they treat the protein as a rigid body, rather than a dynamic structure.

In this upcoming webinar session, Cresset Scientists, Abhijit Kayal, and Ryuichiro Hara will demonstrate how molecular dynamics (MD) simulations in Flare™ can produce an ensemble of protein confirmations, for more comprehensive docking modeling. [Book now]

Cresset and OpenBioSim: An Open-Source Software Collaboration

Integration of open-source software (OSS) that implements cutting-edge chemical simulation algorithms with our proprietary AI technology has the potential to accelerate global drug discovery efforts. We are pleased to be working with Professor Julien Michel and his team at The University of Edinburgh to build and maintain new OSS as part of an exciting collaborative project.

Accelerated Discovery of Novel Targeted Protein Degradation Therapeutics

In recent years, targeted protein degradation has emerged as a new therapeutic modality. It provides a new approach for drug targets that were previously thought to be undruggable, such as transcription factors or scaffold proteins. Learn how Cresset Discovery can support you in every step of the design and development of your degrader, including evaluation of its ternary complex, and the impact of the linker.

CAS and Torx Software Collaborate to Streamline and Accelerate Small Molecule Discovery and Design

Medicinal chemists can now connect seamlessly to CAS SciFindern from Torx to search within their extensive database at the click of a button. The integration expands on the intrinsic molecule design and analysis capabilities within Torx Design to speed time to relevant, actionable insights and optimize decision-making.

CROs in Drug Discovery: How can I Manage my Client Projects Effectively?

Productive working partnerships happen when all parties actively work together and are aligned to the same goals and priorities from the outset.

Learn how Torx Make, a secure, web-based collaboration tool for tracking compound synthesis in drug discovery, enables you to streamline communication and reporting with all clients.

Career Opportunities

Interested in working for a rapidly growing company, focused on helping organizations improve human health by developing better treatments for critical diseases?

We currently have a range of exciting job openings, including Product Marketing Manager for Flare, Postdoctoral Scientist, Account Manager, Integrations Developer, plus a variety of other roles suitable for experienced computational chemists.

Your Chance to Help Shape our Newsletter Content

You may have noticed that our newsletter has been reshaped slightly over recent months. As part of our desire to continually respond to the needs of our growing subscriber list, we’d love to hear from you! Please take a few moments to complete our newsletter survey, and help shape future news features, scientific content, and webinar topics.

Cresset's Women in Computational Chemistry

We value the diverse range of exceptional talent who work at Cresset, and are proud to display a healthy gender balance, with women representing 46% of our employees. In celebration of International Women and Girls in Science Day, some of Cresset’s female employees describe what inspired them to pursue a career in science and offer their advice to those considering this career path.

Upcoming Conferences, Exhibitions & Events

The BMCS Mastering MedChem VII: 7th RSC-BMCS Symposium on Mastering Medicinal Chemistry
22 MARCH, 2023 | LONDON, UK

ACS Spring 2023 Crossroads of Chemistry
26 - 30 MARCH, 2023 | INDIANAPOLIS, USA

7th RSC-BMCS/ SCI Symposium on Ion Channels as Therapeutic Targets
27 - 28 MARCH, 2023 | CAMBRIDGE, UK

[VIEW OUR UPCOMING EVENTS SCHEDULE]