Contact

University of Maryland
Biomolecular Sciences Bldg. #296, Room #1109
College Park, MD 20742, USA

Phone: +1 (301) 405-1989

Information

I am a postdoc in Fushman Lab and Dayie Lab. I have completed my Ph.D. in computer science under Dianne P. O'Leary and David Fushman in May 2010. My dissertation topic was "Protein-Protein Docking Using Long Range Nuclear Magnetic Resonance Constraints".

I am currently working on several computational projects for NMR and Small Angle Scattering. My research interests are in scientific computing, computational biology, optimizations, high performance computing, and GPU computing.

Developed Computational Biology Packages

Please email if you have interest in any of these packages that I helped develop:

ARMOR (Accurate and Rapid computation of Molecular Optimization Restraints) - is a package for rapidly computing several important long-range molecular restraints used in multi-domain structural refinement of complexes consisting of DNA, RNA, and/or proteins. The package consists of three major toolboxes: (i) a package for processing, prediction, and rigid-body docking based on nuclear spin-relaxation; (ii) a package for processing, prediction, and rigid-body docking based on Residual Dipolar Couplings; and (iii) a high-performance parallelized (CPU and GPU) package for prediction of Small-Angle Scattering profile. ARMOR can run on virtually any platform, including Linux, Windows, and Mac OS, and contains a highly scalable, thread-safe API that can be rapidly leveraged by advanced users for easy integration into their own software.


Older Packages

PATI (depricated, part of ARMOR package) - MATLAB package for prediction of the NMR residual dipolar couplings and alignment tensor based on numerical integration and convex hulls.
PATIDOCK (depricated, part of ARMOR package)- MATLAB package for fast two domain rigid docking based on residual dipolar couplings.
ELMDOCK (depricated, part of ARMOR package)- MATLAB package for fast two domain rigid docking based on NMR rotational diffusion tensor.
ROTDIF (depricated, part of ARMOR package)- MATLAB package for fast computation of the fully anisotropic rotation diffusion tensor from NMR relaxation data.

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