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Are Free Energy Perturbation (FEP) methods suitable for your project?

Nov 27th 2023

Free Energy Perturbation (FEP) methods are a fast-evolving area of drug discovery, and Cresset Discovery’s dedicated team of expert modelers are establishing a rapidly growing portfolio of...

Hit Expander: A new method to rapidly assess and step through the hit-to-lead pr...

Oct 5th 2022

Mark Mackey, CSO, introduces Hit Expander. A quick, easy and accurate method to explore SAR with confidence.

Sneak peek at Flare V6.1 for computational chemists and power users

Oct 3rd 2022

This sneak peek explores new features in the upcoming release of Flare™, our ligand-based and structure-based platform for drug design.

Flare™ FEP: Competitively combining speed and accuracy with ease of use

Jul 27th 2021

Explore the new features and enhancements in Flare™ FEP that improve the speed and usability of running calculations, whilst still delivering highly accurate results.

Scientific validation of FEP projects in Flare™

Aug 25th 2020

Stuart Firth-Clark explores the scientific prerequisites for a successful FEP project in the Flare structure-based design platform.

Best practices for alchemical free energy calculations

Aug 25th 2020

Mark Mackey, CSO, reviews a new live paper, Best Practices for Alchemical Free Energy Calculations, which aims to address the issues around setting up free energy calculations.

The business case for outsourcing FEP calculations

Jul 14th 2020

Everyone seems to be talking about FEP. What are the challenges in the application of FEP to your drug discovery projects, and what is the business case for outsourcing?

Flare™ V4 release: Smarter and faster FEP calculations, new and improved force...

May 29th 2020

Join us in a tour of key new features of Flare V4, the latest release of our structure-based design solution, which includes significant improvements to Free Energy Perturbation (FEP), new a...

Faster time to clinical candidate using FEP activity prediction now universally ...

Dec 3rd 2019

Adoption of these methods saves time, cost and resources, and enables better decision making in late-stage pre-clinical discovery.

Behind the scenes of Flare’s alchemical Free Energy Calculations

Sep 26th 2019

The main concepts and the underlying software of Flare’s FEP (Free Energy Perturbation) implementation.

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