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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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| Workshop, 11 September 2007, Chemistry Research Laboratory, Oxford University |
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Applications of Filtering and Similarity in Virtual Screening
Workshop Instructor: Paul Hawkins, OpenEye Scientific Software
Recent work has shown that shape and electrostatic similarity can be very useful tools in drug discovery (references). This workshop will provide an introduction to a rigorous approach to shape and/or electrostatic similarity that is implemented in a number of tools currently available from OpenEye. Recent examples from the literature will illustrate successful application of one or more of these tools in a drug discovery setting. The workshop will introduce the attendees to the use of several OpenEye tools in "real life" situations, covering a variety of functions including conformer generation (OMEGA2), shape similarity (ROCS), electrostatic similarity (EON) and bioisostere identification (BROOD).
References:
Rush et al., J. Med. Chem., 48, 1489 (2005)
Chen et al., J. Chem. Inf. Model., 46, 401 (2006)
Muchmore et al., Chem. Biol. Drug Des., 67, 174 (2006)
Hawkins et al., J. Med. Chem., 50, 74 (2007)
Participants will also take home: A 128 Mb memory stick with a full suite of OpenEye software for Windows and Linux operating systems, and a license good for a period of 30 days from the end of the meeting.
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