Nicola Porta, Senior Scientist, Evotec“As a global computational chemistry team within a contract research organisation (CRO), we aimed to improve the consistency, scalability,...
Article Application of generative AI to design covalent inhibitors of prolyl oligopeptidaseGenerative chemistry is revolutionizing drug discovery, using AI to efficiently explore entirely new areas of chemical space in the search for...
Webinar What’s new in Flare™ V12: significant enhancements to FEP and structure-based methodsFind out what’s new in Flare V12 in our latest webinar
Article Flare™ V12 released: Significant improvements to FEP calculations and structure-based methodsWe are pleased to announce the release of Flare V12, which introduces a range of new capabilities and enhancements aimed at improving the efficiency,...
News Article Cresset releases Flare V12 to cut synthesis and testing cycles with faster, more flexible FEPCresset releases Flare V12, a new version of its computer-aided drug design (CADD) solution for the discovery, design and optimization of small...
Poster Cresset in silico solutions – harnessing digital transformation to drive workflow efficiencies
Article Prediction before synthesis and testing: A Hit Discovery and triaging workflow for TYK2A workflow to triage the results from a virtual screening experiment and assess binding affinity using FEP
Article Best practices for using the Flare™ AI AssistantsThe introduction of AI assistants in Flare V11 reflects a broader objective: to streamline routine molecular modelling tasks, reduce efforts...
Webinar Discovery and development of EP652, A METTL3 Inhibitor with efficacy in liquid and Solid Tumour ModelsWe highlight computational analysis and modeling that facilitated in-silico design; providing a potent, active and tractable METTL3 inhibitor...
