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| About Daniel Cheney (Bristol-Myers Squibb) |
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Dan Cheney received his Ph.D. in 1988 from the Ohio State University for his work on the total synthesis of natural products with Leo Paquette. After a visiting professorship in organic chemistry at the University of Pretoria, South Africa, he joined the Department of Medicinal Chemistry at RPR, where he worked in the areas of bone metabolism and immunology and inflammation. He joined the CADD group at RPR in 1996, and over the next 3 years was involved in structure-based design, the early development of pharmacophore – based docking and receptor – based similarity metrics, de novo drug design, and the development and integration of practical quantum mechanical methodology in molecular modeling. In 1998, he joined the CADD group at BMS. His primary interests involve utilization of “high resolution” methods in support of active drug research programs, and he is actively engaged in the areas of molecular docking, FEP-based ranking of idea structures, and the development of QM methodology for the quantification of intermolecular interactions.
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Taking advantage of current computational capacities: Applications of high-resolution techniques in computer-assisted drug design
Daniel L. Cheney, Department of Molecular Biosciences, Bristol-Myers Squibb, Hopewell, New Jersey.
Current computational resources have grown enormously over recent years, to the extent that modern gaming PC’s easily surpass on a per-processor basis the performance of supercomputers of a decade ago. The emergence of Linux clusters, office-PC grids, and cheap storage and memory is challenging the modeling community to integrate into the drug design process higher resolution methodologies which were until recently beyond our resources. In this presentation, the utilization of relatively rigorous techniques in the context of routine molecular modeling will be discussed. Applications involving real world problems in drug discovery will also be described
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