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Ensemble Docking with Molecular Dynamics Proteins in Flare™

A roundup of computational chemistry news from Cresset in June.

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 ...

We were asked by Grey Wolf Therapeutics (in collaboration with Sygnature Discovery) to provide support for an endoplasmic reticulum aminopeptidase-1 (ERAP1) drug discovery program.

By the time we are 65, one in ten of us will have contracted Alzheimer’s disease. Currently there are only four FDA approved drugs for the alleviation of the symptoms of Alzheimer’s dise...

Cancer Research UK Manchester Institute (CRUK MI), has licensed Flare for fresh insights into structure-based drug design.

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