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...
Postprocessing potential hitsOur tools are not limited to only providing a score that can be used to rank ligands. We graphically represent ligands, showing their Electrostatic...
Webinar Computational approaches to prioritize macrocyclic designs for synthesisWe present a digital workflow that can be used to prioritize challenging ligands for synthesis
Protein and Ligand Structural AnalysisUnderstand ligand-protein interactions and predict ligand binding modes
Protein analysisMaximize the information from your crystal structure, molecular dynamics and pocket detection
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...
Protein and Ligand ElectrostaticsVisual feedback to understand ligand binding, structure-activity relationships and rank new molecule designs
Article Application of CADD methods for predicting the potency of macrocyclic JAK2 inhibitors to increase success rate when pursuing challenging designs for synthesisThe development of macrocycles has received increasing interest in drug discovery as a rational approach for restricting the conformation of...
Article Prioritizing Heterobifunctional Molecule Designs Using Electrostatic Complementarity™What are heterobifunctional molecules? With the constant issues arising with small molecule drug discovery, such as enzymatic resistance mechanisms...
Citation Integrated framework of fragment-based method and generative model for lead drug molecules discoveryIntegrated framework of fragment-based method and generative model for lead drug molecules discovery Uche A. K. Chude-Okonkwo Intelligent...
Citation Unveiling the potential: exploring the efficacy of complex III inhibitors in fungal disease controlPest Management Science | 2025 Jackson, V., Sherer, C., Jordan, L. and Clohessy, T.; Unveiling the potential: exploring the efficacy of complex...
