How to perform fast and accurate 3D ligand-based affinity predictions
Binding affinity prediction continues to be a challenge in computer-aided drug design, especially in the absence of a high-quality target…
Binding affinity prediction continues to be a challenge in computer-aided drug design, especially in the absence of a high-quality target…
Develop advanced MPO strategies and target the right compounds, faster.
We’re diving back into our favourite subject: multi-parameter optimisation.
Interested in improving your binding mode predictions? Surflex-Dock is a unique method for molecular docking, offering automatic pipelines for ensemble docking, applicable to both small molecules and large peptidic macrocycles alike.
Everyone knows smooth collaboration can speed up successful drug discovery projects. But how can we collaborate easily in drug discovery…
Successful drugs require a delicate balance of many properties, such as potency, ADME and toxicity, to meet a project’s therapeutic objective. To make decisions about compound progression and assay selection, the available data must be assessed against project-specific criteria. However, the data on which we base our decisions often come from different sources and can vary in quality, so how can we use this information to make confident decisions? In addition, how can we be sure that the criteria we’re using are the most appropriate?
Generative molecular design provides new exciting avenues of chemical space exploration. But how can we use these methods effectively to assess many optimisation strategies and find the compounds destined for success in our projects?
Join Dr Matt Segall and Dr Michael Parker as they explore state-of-the-art generative chemistry, and discuss the importance of an augmented intelligence approach for successful discovery.
Macrocycles are becoming increasingly popular in drug discovery, due to their vast potential against previously “undruggable” targets. But the size…
Watch industry leaders from Novartis, Apollo Therapeutics and Eikon Therapeutics as they discuss their highs and lows, experience and advice,…
Interpreting metabolite-ID experiments; determining the right species for animal studies; providing optimisation suggestions for your medicinal chemistry colleagues to overcome…
Ann and Ajay discuss the science behind and applications of the eSim molecular similarity method, a ligand-based drug design approach which considers surface-shape, electrostatics, and directionally sensitive hydrogen-bonding when comparing two molecules.
We explore the exciting new features in the latest release of StarDrop, built to elevate your drug discovery projects. These include the all-new Metabolism module; high performance virtual screening; additional workflow improvements
Watch our panel of experts as they discuss tactics to achieve success in your medicinal chemistry projects, experiences they’ve had and advice they would give. Learn about the key challenges today’s drug hunter needs to overcome, the skills it takes to gain success across pharma and biotech, and what the future may hold for this industry.