Happy New Year, and welcome to our January newsletter!
It has been a busy start to 2023, so we have plenty to share with you this month.
We are currently offering one-year free licenses for Flare Visualizer, providing access to some of the core features of Flare™. We’ve also written up some practical applications around atom selection and the Molecular Dynamics component of Flare; alongside a virtual screening publication; two pieces of Cresset Discovery customer content and our upcoming event listings!
If you know of anyone looking for a Postdoc position, we have exciting opportunities!
You can subscribe to our monthly newsletter list if you’d like to receive these monthly updates via email.
Virtual Screening in Modern Computational Chemistry
Virtual screening is a firmly established technique in computational drug design which has saved the pharmaceutical industry billions of dollars since its inception. In this recent publication within International Pharmaceutical Industry, Cresset’s Chief Scientific Officer, Mark Mackey; and Postdoctoral Scientist, Scott Midgley discuss the technical and practical considerations for modern virtual screening approaches.
Drug Repurposing with University of South Australia
Traditional approaches to cancer drug development can be very resource and time-consuming. To address this, Richard Head’s team from the Drug Discovery and Development Group at University of South Australia used the concept of drug repurposing (taking existing drugs already clinically approved for other disease areas) to identify those with anti-cancer activity. [Read more]
We are delighted to announce that we are collaborating with the University of Exeter to find new antimicrobial drugs. Antibiotic-resistant pathogens are predicted to be the leading cause of death by 2050, so the research need is critical. “I am very excited to work on this antimicrobial resistance project together with Cresset Discovery. Our joint goal is to discover new molecules that interfere with the functioning of novel bacterial targets.” Dr Stefano Pagliara, Associate Professor. [Read more]
Flare Visualizer: Free Download
Create stunning 3D images to view important ligand-protein interactions with Flare Visualizer™, a unique platform based on Cresset’s powerful description of electrostatics. This FREE version of Flare provides users with one year’s unlimited access to many of the core features of the paid platform.
Practical Applications of Flare’s Atom Pick Feature
Flare is Cresset’s comprehensive software platform for structure and ligand-based molecular design. The platform includes many practical functions for selecting atoms and residues of interest, including the “Atom Pick” panel, suited to more complex atom or residue selections. We explore a series of practical usage examples within this recent feature. [Read more]
Membrane Protein Dynamics Simulations in Flare
Not only do membrane proteins play a key role in a cell’s biology, but around 20% of the human genome codes for them, and they are of significant interest as therapeutic targets. The ability to run Molecular Dynamics (MD) calculations with membrane proteins is one of the most recently introduced features within Flare. In this recent article, we explore how Flare users can set up and run MD simulations. [Read more]
Enhancing the Ideation Process in Drug Discovery
Every new small molecule drug starts with an idea. Learn how Torx® transforms the way you record, validate and share new design ideas, so that you can be sure you’re only committing to the molecules which give you the highest chance of success.
Coming Soon: Postdoctoral Program
We’re offering full-time permanent roles to postdocs looking to start their computational chemistry career. Read about this unique rotational program and prepare your CV ready for when applications open on 30th January.
Australian Program for Drug Repurposing for Treatment Resistant Ovarian Cancer
02 MARCH 2023 | 3PM CET/ 2PM GMT/ 9AM EST
External Conferences, Exhibitions & Events
30th CRSI National Symposium in Chemistry (CRSI-NSC-30) & 16th CRSI-RSC Symposium Series in Chemistry
02 FEBRUARY, 2023 – 05 FEBRUARY, 2023 | NEW DELHI, INDIA
Torx DMTA Seminar in collaboration with Fujitsu and Biospire
14 FEBRUARY, 2023 | TOKYO, JAPAN
Asia-Pacific Association of Theoretical and Computational Chemists APATCC
19 FEBRUARY, 2023 – 23 FEBRUARY, 2023 | QUY NHON, VIETNAM