This week we present #FragSteer; the D3 agent that takes the output of #SurfScan and rank orders all chemical fragments based on the external force required to get them out of the protein cavity using a customised steer MD implementation.

Contact us at #info@chemotargets.com for more information!

Today we introduce #SurfScan, the D3 agent that fills protein cavities with chemical fragments known to bind in protein environments similar to those exposed by the target cavity.

Contact us at #info@chemotargets.com for more information on collaborative and partnering opportunities.

#AIDD