Gregory A. Ross

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The identification of the Flora Roberts and G. A. Ross recipients for 2008 begins with the call for nominations. This is your invitation to submit nominations. These are two highly prestigious awards that are critically dependent on the nominations from faculty or departmental staff. Faculty and departmental assessments of student achievement consistent(More)
Water plays a critical role in ligand-protein interactions. However, it is still challenging to predict accurately not only where water molecules prefer to bind, but also which of those water molecules might be displaceable. The latter is often seen as a route to optimizing affinity of potential drug candidates. Using a protocol we call WaterDock, we show(More)
Water molecules play integral roles in the formation of many protein-ligand complexes, and recent computational efforts have been focused on predicting the thermodynamic properties of individual waters and how they may be exploited in rational drug design. However, when water molecules form highly coupled hydrogen-bonding networks, there is, as yet, no(More)
Observations in this laboratory have indicated that human subjects with malignant growths exhibit a significant elevation in plasma glutamic acid concentration (2, 5). No such elevation was observed in subjects with benign growths, al though it has been shown that an elevated plasma glutamic acid level may be observed in clinical conditions other than(More)
Water is often found to mediate interactions between a ligand and a protein. It can play a significant role in orientating the ligand within a binding pocket and contribute to the free energy of binding. It would thus be extremely useful to be able to accurately predict the position and orientation of water molecules within a binding pocket. Recently, we(More)
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