Purchase of a Molecular Modeling System

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With this award from the Chemistry Research Instrumentation and Facilities (CRIF) Program, the Department of Chemistry at Northeastern University will purchase a Molecular Modeling System. This equipment will enhance research in a variety of areas including conformational analysis and molecular modeling of substituted steroids; protein and DNA dynamics studies using spin-labeling with molecular modeling; synthesis of medicinal agents such as tamoxifen analogs; molecular modeling of drug-receptor interactions and drug-drug similarities; computational studies of horseradish peroxidase in nonaqueous media; modeling enzyme-substrate interactions in vitamin B6 mediated systems; and new DNA cleaving and crosslinking reagents.A workstation network of fast, modern computer workstations is a new way to satisfy the computing needs of chemistry departments. Such a "computer network" also serves as a development environment for new theoretical codes and algorithms, provides state-of-art graphics and visualization facilities, and supports research in state-of-the-art applications of parallel processing.