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Journals and Conferences
A recently introduced new methodology based on ultrashort (50-100 ps) molecular dynamics simulations with a quantum-refined force-field (QRFF-MD) is here evaluated in its ability both to predict protein-ligand binding affinities and to discriminate active compounds from inactive ones. Physically based scoring functions are derived from this approach, and… (More)
The Computer Aided Medical Diagnosis and Surgery System (CAMDASS) is a tool that is aimed at providing medical guidance and automated diagnostic support to non-experts for performing medical procedures, especially motivated by astronauts on long term spaceflights beyond Low Earth Orbit (LEO) where restricted communication makes tele-medicine solutions… (More)
In this paper, we illustrate the role of modeling in the development of commercial nitride-based lasers and LEDs. Aside from optimizing device performance, joint analysis of simulations and experimental results can shed light into the intrinsic properties of the InGaN/GaN material system.