Cresset’s March newsletter offers readers an overview of upcoming webinars, software tools, and career opportunities in computational drug discovery. Abhi Kayal and Ryuichiro Hara will present a webinar on the use of Molecular Dynamics (MD) simulations for generating biologically-relevant docking results based on protein conformations. In another webinar, Cresset explores how the Torx CAS SciFindern plugin helps chemists to make informed decisions about which molecules to progress through the drug discovery cycle. The company is also hiring for various roles, including the Marketing Manager for Torx, who will drive lead acquisition and retention of existing customers. Finally, the newsletter includes an overview of upcoming industry events, including the BMCS Mastering MedChem VII symposium, ACS Spring 2023 Crossroads of Chemistry, and Drug Discovery Chemistry. Overall, Cresset’s newsletter provides readers with valuable insights into the latest developments in computational drug discovery and the opportunities available in this exciting field.
Cresset’s March newsletter is packed with exciting news and updates, including the upcoming Flare v7 software release. The platform is being upgraded by the company’s team of scientists and developers, who have added some fantastic new features and scientific capabilities to enhance molecular modeling methods.
Flare v7: A Sneak Peek
Giovanna Tedesco, the Head of Products at Cresset, has published a sneak peek article discussing the new features to be included in the upcoming Flare v7 update. Some of the new functionality that users can expect includes the ability to run multiple experiments in parallel, ensemble covalent docking, expanded capabilities for building quantitative SAR models, and more accurate results for FEP and Molecular Dynamics using methods such as Grand Canonical Monte Carlo. Moreover, the update also brings in a more appealing and simpler-to-use graphical user interface (GUI).
Outsource Your Free Energy Perturbation (FEP) Calculations
Cresset Discovery scientists specialize in Free Energy Perturbation (FEP) calculations, which is an advanced technique for predicting protein-ligand binding affinity. With access to the company’s internal computing resources, outsourcing this research area has become a favorable option. The newsletter invites readers to explore how Cresset’s discovery scientists can support drug discovery projects through outsourced FEP calculations.
In addition to these updates, the newsletter also highlights three webinars, including one next month, an additional Flare feature on R-Group Analysis, and a reminder that their academic offering is open to licensing applications. For those who don’t want to miss out on these monthly updates, they can subscribe to Cresset’s newsletter list to receive email updates.
Overall, the March newsletter from Cresset provides a comprehensive overview of the upcoming Flare v7 release and other exciting updates, demonstrating the company’s commitment to continually improving their molecular modeling methods.
Cresset’s Molecular Modeling Capabilities: FEP Calculations, R-Group Analysis, and More
Cresset’s expertise in molecular modeling is highlighted in their latest newsletter, which includes updates on their services and features, ranging from FEP calculations to R-Group Analysis and academic support.
FEP Calculations for Drug Discovery
Readers are invited to explore how Cresset’s specialist modelers can apply Free Energy Perturbation (FEP) calculations to drug discovery projects. This advanced technique can prioritize the best candidates for synthesis, reduce bottlenecks, and optimize chemistry resources.
R-Group Analysis in Flare
The R-Group Analysis (RGA) function in Flare helps users rapidly analyze the substitution pattern of a chemical series and identify all R-group variations around a common core. This feature enables users to identify active molecules that may have been missed in the initial medicinal chemistry design and synthesis stages.
Cresset’s Application Scientist, Ryuichiro Hara, explores how this feature can be applied, utilizing a full range of visual techniques for analyzing results in his latest article.
Support for Academic Research
Cresset offers continual support for students, academics, and university course tutors through a range of dedicated software licensing options. For any student intending on using the software for wholly academic purposes, Cresset provides free access to Spark™ and Flare™ Designer. The same applies to course tutors, while flexible licensing terms are available for academic research, including PhD studies.
The Cresset Discovery team also provides collaborative support to academic research, from grant applications through to in silico methods.
Webinar Catch-up: Drug Repurposing for Ovarian Cancer
Professor Nikola Bowden from the University of Newcastle joined Cresset’s Director of Discovery, Martin Slater, to discuss a world-first initiative to screen new drugs for ovarian cancer. Effective new therapies are urgently required, and the development of repurposed drugs for ovarian cancer targets offers an attractive option.
The webinar recording is available on Cresset’s website for those who missed the session.
Next Month’s Webinar: Molecular Dynamics for Docking Experiments
Cresset’s upcoming webinar explores Molecular Dynamics for Docking Experiments, offering valuable insights into the application of the technique.
Overall, the newsletter demonstrates Cresset’s commitment to providing high-quality molecular modeling services and features to support drug discovery and academic research.
Cresset’s Latest Updates: Webinar, Connected Chemistry, and Career Opportunities
Cresset’s latest newsletter features updates on upcoming webinars, software tools, career opportunities, and industry events.
Webinar on Molecular Dynamics in Docking
Abhi Kayal and Ryuichiro Hara, Application Scientists at Cresset, will present a webinar on the use of Molecular Dynamics (MD) simulations for generating biologically-relevant docking results based on protein conformations. The webinar is bookable through the Cresset website and is scheduled for Thursday 6th April.
Torx for Drug Discovery
Torx helps chemists to make informed decisions about which molecules to progress through the drug discovery cycle. In a recent webinar, Cresset explored how the Torx CAS SciFindern plugin enables users to access key insights around IP position and synthetic feasibility, and present these findings alongside other physico-chemical properties and 3D pose.
Career Opportunities at Cresset
Cresset is a rapidly growing company that focuses on developing better treatments for critical diseases. Cresset is hiring for various roles, including the Marketing Manager for Torx, who will drive lead acquisition and retention of existing customers. Experienced computational chemists can explore other opportunities through the Cresset website.
Upcoming Industry Events
Cresset shares an overview of upcoming industry events, including the BMCS Mastering MedChem VII symposium, ACS Spring 2023 Crossroads of Chemistry, and Drug Discovery Chemistry. The schedule also includes the Paperless Lab Academy 2023 Europe, Yorkshire Bio-Partnering, and the 34th Medicinal Chemistry in Eastern England.
Overall, Cresset’s newsletter provides readers with a snapshot of the latest advances in computational drug discovery and the opportunities available to those interested in pursuing a career in this field.
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