Comp bio lab @ Pitt (@PittTweet). Makes & applies tools for pharm & basic-science research. Cheminformatics, MD simulations, visualization, computer docking.

Pittsburgh, PA
Joined July 2018
Happy to share a talk I gave to excellent colleagues in Penang, Malaysia, where I introduced MolModa (molmoda.org), my lab’s open-source platform for virtual screening: youtu.be/LIvbImMx1vo . Thanks to Drs. Habibah Wahab and Siti Jusoh for the invitation!
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So proud of the artwork Harrison Green (@hgarrereyn) made to illustrate our DeepFrag algorithm! The glowing moiety represents a suggested fragment addition, and the pocket surface is voxelized to represent the voxel grid used for DeepFrag input. pubs.rsc.org/en/Content/Arti…
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So excited to see my student @_neerjag presenting her research at #PittScience2019
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