Refine by
Crypticscout Dynamics And Molecular Services Available In In Monaco
1 services found
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 correlate very well with actual pockets. Furthermore, binding modes for ...