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...
Case study Prioritization of new molecule design using QSAR models – 2D- and 3D-QSAR studiesIntroduction The viral main protease Mpro is a crucial enzyme for the replication of the severe acute respiratory syndrome coronavirus...
Case study Accelerating discovery of a METTL3 inhibitor through efficient in silico design and prioritizationCresset Discovery provides molecular modeling expertise utilizing the application of proprietary in silico methods which, when combined with...
QSAR ModelsBuild predictive Quantitative SAR models for fast and accurate activity and ADME property prediction
Article Enhancing QSAR Models: tackling descriptor intercorrelation with robust Gradient Boosting Machine Learning models in Flare™In a typical drug discovery scenario, we often deal with large numbers of compounds, their associated properties, and activities gathered from...
Article Flare™ V10 released: Absolute Free Energy Perturbation Calculations, Protein-Protein Docking and more enhanced featuresThe new Flare release brings new and enhanced scientific features both for computational and medicinal chemists. These include significantly...
Citation Synthesis and Anti-Trypanosoma cruzi Activity of 3-Cyanopyridine DerivativesACS Omega | 2024 Brian W. Slafer, Marco A. Dessoy, Ramon G. de Oliveira, Maria C. Mollo, Eun Lee, An Matheeussen, Louis Maes, Guy Caljon, Leonardo...
Citation Evidence-based successful example of a structure-based approach for the prediction of designer fentanyl-like moleculesEmerging Trends in Drugs, Addictions, and Health | 2024 Giuseppe Floresta, Valeria Catalani, Vincenzo Abbate,Evidence-based successful example...
