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Darryl Reid, MSc., is a computational scientist and marketing representative for SimBioSys Inc. He obtained his bachelors of science in Chemistry from Memorial University of Newfoundland (Canada). Upon completion, he enrolled in the new Computational Science's Masters program at Memorial where his focus was on computational chemistry and its applications. From 2001 to 2004, Darryl was a key member of the Technical Analyst Support Program of C3.ca (Canada's leading High Performance Computing organization), at Memorial's Advanced Computation and Visualization Centre. In that role, he gained valuable experience in many areas of computational science in the academic world. Darryl joined the SimBioSys team in 2004.
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| Workshop, 11 September 2007, Chemistry Research Laboratory, Oxford University |
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User-friendly Ligand Filtering and Virtual Screening / Docking, Results and Visualization
Workshop Instructor: Darryl Reid, SimBioSys
SimBioSys prides itself on delivering leading edge scientific software that is both highly accurate and very easy to use. To that end, attendees of this workshop will experience three tools that can make virtual screening a more productive experience. The eHiTS Filter is a ligand based filter that uses the chemical features of a ligand surface to create a pseudo-pharmacophore for rapid screening of large databases. eHiTS is a very accurate fragment-based docking program for both virtual screening and binding pose prediction of ligands. CheVi is an advanced visualization package specifically designed to help users analyze how ligands interact with receptors. In addition, CheVi acts as a front-end GUI to run eHiTS Filter and eHiTS screening / docking jobs.
The workshop will describe a typical work-flow from database to lead and show how tools from SimBioSys can make the process easier. Users will get a hands on lesson on how to use all the tools described above, with specific attention to analysis of interaction results.
Participants will also take home: A FREE unlimited version of the CheVi visualization tool and a two (2) month evaluation version of eHiTS and the eHiTS Filter.
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