Department of Medicinal Chemistry
Facilities and Instrumentation


The Department of Medicinal Chemistry is equiped with a wide variety of modern instrumentation and equipment for conducting research in the design and synthesis of new therapeutic agents. In addition to the equipment housed within the Department, students can gain access to additional instrumentation, such as higher field NMR spectrometers (500, 600, 700, and 800 MHz), high resolution mass spectrometers, and X-ray crystallographic equipment located in various Departments around the Rutgers campuses. A glassblowing, electronics, and machine shops are located within the Chemistry and Physics Departments, which are only a short walk from the School of Pharmacy.

Spectroscopy and Spectrometry

Chromatography

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Synthesis

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Miscellaneous

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Computing

The computational chemistry facility of the Department of Medicinal Chemistry is equipped with a Silicon Graphics (SGI) OCTANE dual-processor UNIX workstation. The Molecular Operating Environment (MOE, Chemical Computing Group, Inc.) is available featuring MMFF94, AMBER89, AMBER94 and Metropolis Monte Carlo Docking simulation (MOE-Dock). Hybrid Monte-Carlo molecular dynamics is available in MOE. The facility has nine Dell OptiPlex workstations all loaded with Windows XP Professional, Microsoft Office 2007, ChemDraw Ultra 10.0, and all run PC Spartan06 (Wavefunction, Inc.) software package complete with routines for performing a vast array of molecular mechanics (Tripos Force Field & MMFF94), semi-empirical quantum chemical (MNDO, AM1 & PM3), ab initio (3-21G*, 6-31G*), and density functional (SVWN & BP) calculations. Gaussian 98 (Gaussian, Inc., Pittsburgh, PA) is also available. For presentation of graphics and illustration work, the facility is equipped with a 50" plasma display, a Tektronics Phaser 740 color laser printer (1200 x 1200 dpi resolution), HP 2100TN b&w laser printer (1200 x 1200 dpi resolution), a Hewlett Packard Color Scanner, and a Polaroid ProPalette 7000 fully automated 35 mm color slide maker. In addition to these facilities students also have access to the numerous computer centers located throughout the Rutgers Campuses. Students and faculty with an account from the Rutgers University Computer Services can access the UNIX-based mainframe computers, internet 2, and high performance computing.

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