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Paul Hawkins was born in London, was brought up in various parts of the Midlands, went to university in Southampton and did his Ph.D. at "the home of golf", St. Andrews. After a peripatetic career as a post-doc in the U.S. and Australia he settled, against his better judgement, in New England (Boston) to work in biotech as a medicinal chemist. In this capacity he was involved in a variety of project areas, making a wide range of compounds that successfully poisoned a large number of blameless organisms, but fortunately never himself.
After a number of years at the bench he decided it was time for a change and became an applications scientist for Tripos, covering the New England area. In this capacity he became somewhat familiar with the wonder that is SYBYL. Being an applications scientist proved to be so entertaining that he decided to take the plunge and accept an offer he could not refuse from OpenEye, and left New England for the somewhat newer New Mexico. Joining OpenEye as their first applications scientist has proven to be consistently amusing in spite (or perhaps because of) the presence in the Santa Fe office of the well-known "Disagreeable Duo", Anthony Nicholls and Roger Sayle.
In his "spare" time Paul enjoys skiing, opera, cycling and sublimating his homicidal urges by playing first-person shooter games on his Xbox.
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Applications of Filtering and Similarity in Virtual Screening
Paul Hawkins, OpenEye
This workshop will address the application of shape-based, ligand-centric virtual screening using the OpenEye tool ROCS (Rapid Overlay of Chemical Structures).
The tool will be introduced, its underlying theory presented and its coupling to other tools in the OpenEye suite will be illustrated. The bulk of the presentation will focus on new approaches to using ROCS, with particular attention paid to the use of multiple molecules in a single ROCS query.
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