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Website Of The Abagyan Lab

We dock compounds, proteins and peptides, do protein modeling, structure based lead discovery, drug repurposing, cheminformatics, molecular design, structural modeling and drug binding for GPCRs, kinases, nuclear receptors, green chemistry, structural basis of adverse effects.

  • gpcrdock2010

    News, Aug-11-2011: The GPCR Dock 2010 modeling and docking contest article has been published and got the journal cover. More info and website

  • capsid shapes

    Study of retroviral capsid shapes, stability and assembly using macromolecular docking of flexible oligomeric protein subunits and simplified coarse-grain models. View the project

  • alcohol dehydrogenase

    Variation a small molecule binding pocket in terms of composition, protonation and tautomerization, and conformation depending on a bound ligand. View the project

  • ablab cluster

    Lab computing infrastructure. View the project


In 2009 we crossed the N.Torrey Pines road and moved from TSRI to the University of California, San Diego. Our new home is the Skaggs School of Pharmacy and Pharmaceutical Sciences and the San Diego Supercomputer Center. This lab research is focused on the following topics:

Lab Servers

We collaborate with biologists, structural biologists, medicinal chemists, and pharmacologists. If you can test activity of a compound you are a potential collaborator. In particular, if your protein is a molecular target in treatment of a cancer or a neglected disease.

Last updated: Wed Jul 19 11:43:33 PDT 2017