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Jaguar users span a wide range of chemical research. They share in common the need for the highest level of accuracy and computational efficiency.
Here are some quotes from Jaguar users:
Dr. Dan Cheney, Associate Research Fellow at Rhône-Poulenc Rorer Pharmaceuticals, comments on Jaguar’s power and speed.
“We’re looking at models of binding pockets consisting of up to 55 heavy atoms. That’s huge, and it’s something we would never consider doing with another package. At the 6-31G** level, other packages would take weeks on a workstation, whereas with Jaguar, we run these calculations routinely on our SGI R10000 and R8000 machines.”
Dr. Cheney discusses the strategy of using quantum mechanical tools in structure-based drug design.
“Given the speed of Jaguar’s code, and the accuracy of its algorithms, we see no reason why QM can’t become a routine tool. It’ll take its place right alongside force field calculations, molecular dynamics, and other kinds of tools that computational chemists use. Jaguar’s already proven its usefulness to us. We use it heavily; hardly a day goes by without two or three jobs going at the same time.”
Chemical Engineering Professor Shaoyi Jiang talks about his research in materials and environmental engineering.
“We used the Jaguar package to successfully model a zinc dithiophosphate wear inhibitor when I was at Caltech. In the beginning, we didn’t know the exact structure of the dimer system, but with Jaguar, we were able to study various structures and examine the different Zn binding sites. As our model system grew, we used Jaguar to identify the lowest-energy structure - in the end, we reached perfect agreement with crystallographic data.”