Jinhui Ding

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The molecular docking problem is to determine how molecules interact with other molecules and plays a key role in understanding how cells function. DockingShop is an integrated environment for interactively steering molecular docking by navigating a ligand or protein to the receptor's estimated binding site. This tool provides a graphical interface for(More)
We describe a new method to predict the tertiary structure of new-fold proteins. Our two-phase approach combines the knowledge-based fragment-packing with the minimization of a physics-based energy function. The method is one of the few attempts to use an all-atom physics-based energy function throughout all stages of the optimization. Information from the(More)
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