Molecular Modeling

In her report on page 18 of The Scientist, March 20, 1995, issue ["Molecular Modeling Software Manufacturers Improve Functionality"], Holly Ahern writes: "It has been less than a decade since the first researchers in the fledgling field of structural biology created three-dimensional images of macromolecules on a computer screen." Research on interactive three-dimensional molecular graphics began more than 30 years ago, on the unique Project MAC display at the Massachusetts Institute of Techno

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Research on interactive three-dimensional molecular graphics began more than 30 years ago, on the unique Project MAC display at the Massachusetts Institute of Technology, by the late Cyrus Levinthal (then at MIT) and myself (then at Harvard University). In 1967-69, as commercial devices became available, the Division of Research Resources of the National Institutes of Health encouraged both Levinthal and me to establish computer graphics laboratories at Columbia and Princeton universities, respectively.

Although protein crystallographers fitting electron densities are heavy users of FRODO, mentioned later in the article, this was by no means the pioneering development in interactive molecular graphics, which has a much broader application in structural biology and drug design. All the programs since developed, including FRODO, trace their origins not to the last decade but to the pioneering work at MIT that began in 1964.

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