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Crypticscout Drug Like Molecules Services Available In San Marino

1 services found
CrypticScout - Mixed Solvent Molecular Dynamics For Drug Discovery

CrypticScout - Mixed Solvent Molecular Dynamics For Drug Discovery

by:Acellera   based inStanmore, UNITED KINGDOM
This protocol simulates the target of interest (GPCR, kinase, ion channel, etc.) in a solution of water and a co-solvent, like benzene or any other fragment-like molecule. During the simulation, the co-solvent molecules interact with the surface of the protein, revealing binding hotspots. These hotspots have been proven to ...
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