August 2020 newsletter
Scientific validation of FEP projects in Flare™ Stuart Firth-Clark explores the scientific prerequisites for a successful FEP project in the ...
Join Giovanna Tedesco, Head of Products, 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 and improved force fields, new Dynamics analysis tools, plus new and improved GUI functionality.
See how to use the Molecule Editor in Flare to design new ligands, align them to a reference ligand, and validate the molecules in terms of their electrostatics.
Cresset scientists will present our latest science and showcase upcoming solutions to help your chemists design the best molecules as efficiently as possible. Whether you are new to Cresset, have been with us from the beginning, or are just intrigued to find out more about the solutions we offer, we hope you can join us. Read abstracts and register.
Allosteric pockets can have a significant effect on the mechanism of protein action. Andy Smith, Discovery Services Scientist, explains why identifying and understanding allosteric pockets is particularly important for targets where traditional drug design methods fail and when HTS screens reveal unexpected results.
Torx™ enables medicinal and synthetic chemists to create innovative new designs, share and review them with colleagues, and track them through synthesis in your own or partner labs. Find out more and request an evaluation.
A recent virtual screening project led Cresset Discovery Services to procure compounds from MolPort. “The range of compounds offered by MolPort was impressive, as was the speed of their service. We welcome them as a partner and look forward to working with them again”, commented Dr Martin Slater, Director of Consulting Services, Cresset Discovery Services.
As a leading, experienced compound sourcing and screening sample ordering service, MolPort is very happy to partner with Cresset Discovery Services,” said Imants Zudans, CEO, MolPort. “We were pleased to assist their customers with rapid and efficient compound acquisition. Our sourcing expertise in a recent virtual screening project showed how our collaboration with Cresset Discovery Services can help scientists accelerate their drug discovery activities, freeing them to focus on science rather than administration.”