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Running Molecular Dynamics (MD) calculations with membrane proteins is one of the new features recently introduced within Flare. Not only do membrane proteins play a key role in a cell’s b...

Using the active site to generate new designs for InhA reductase inhibitors

This sneak peek explores new features in the upcoming release of Flare™, our ligand-based and structure-based platform for drug design.

The role of water in drug discovery should never be ignored. Its importance in ligand binding is well accepted and has an essential role in protein-drug interactions. Its role has been well ...

Join us 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 a...

Reagent availability can vary depending on suppliers thus we update the twenty-two reagent databases derived from eMolecules building blocks on a monthly basis.

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