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#SurfScan

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Posts tagged #SurfScan

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!

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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

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