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Scientific
Presentations and Posters
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 | "Effects of initial conformations of small ligands on computational docking accuracies" Akifumi Oda1, Ohgi Takahashi1, Noriyuki Yamaotsu2, Shuichi Hirono2 (1)Tohoku Pharmaceutical University, 4-4-1, Komatsushima, Aoba-ku, Sendai, Miyagi, 981-8558, Japan, http://www.tohoku-pharm.ac.jp/ (2)Kitasato University, 5-9-1, Sirokane, Minato-ku, Tokyo, 108-8641, Japan, Presented at the IUCr 2008 Osaka, Japan conference, XXI Congress and General Assembly of the International Union of Crystallography, 23-31 August, 2008 Site now: http://www.iucr2008.jp/ new site after Dec 25th 2008: http://www.crsj.jp/IUCr2008/ see poster abstract on our site. | |
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| "Elucidation of Mechanisms of
Action of
Molecules with Anti-Cancer Activity Using Molecular Docking" Ines Sousa, Visvaldas Kairys, Jose M. Padron, Miguel X. Fernandes 2nd Meeting YBIM (Young Biomedical Investigators of the Macaronesia), held on November 10-13, 2007 at Lanzarote, Spain. see presentation (pdf) |
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Structure-based Drug Design:
Molecular
Docking Studies Jinxia (Nancy) Deng, PhD, Postdoctoral Research Associate University of South California, School of Pharmacy Sept 25, 2007 see presentation (PDF) |
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Digging Deeper into Deep Data:
Molecular
Docking as a Hypothesis-driven Biophysical Interrogation System in
Computational Toxicology (PDF, 15KB, 1pp) Contact: Michael Goldsmith, U.S. EPA/Office of Research and Development (ORD)/National Center for Computational Toxicology (NCCT) See poster (PDF, 245KB, 1pp) |
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| Preoxisome-Proliferation
Activated Receptors as a Macromolecular Target for Chemical Toxicity:
Models of the Interactions of PPARs with Perfluorinated Organic
Compounds Contact: Michael Goldsmith, U.S. EPA/Office of Research and Development (ORD)/National Center for Computational Toxicology (NCCT) See poster (PDF) |
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Identification
of a novel BACE1 inhibitor scaffold via an in silico screening approach James Chadwick, Kathrine A.B. Davery, N. Yi Mok, Nigel M.Hooper, A. Peter Johnson and Colin W.G. Fishwick School of Chemistry and Institute of Moelcular and Cellular Biology, Universirty of Leeds, Leeds, UK, LS2 9JT, UK see presentation |
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| Presented
at the 5th
Joint Meeting on Medicinal Chemistry, Portoroz, Slovenia, June 17 - 21,
2007
: Novel Inhibitors Novel Inhibitors of Isoleucyl-tRNA Synthetase as Potential Antibacterial Drugs Nicola J. Potter, Ian Chopra, Julian G. Hurdle, A. Peter Johnson & Colin W.G. Fishwick School of Chemistry & bInstitute of Molecular & Cellular Biology, University of Leeds, Leeds, LS2 9JT, U.K. see presentation |
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| STRUCTURE-BASED DESIGN OF
INHIBITORS OF
CLASS 2 DIHYDROOROTATE DEHYDROGENASES Heikkila TJ, Davies M, Parsons MR, Johnson AP MR, Johnson AP see presentation |
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| Design and Synthesis of New
Dihydroorotate
Dehydrogenase Inhibitors as Potent Antimalarials Matthew Daviesa, Timo Heikkil�b, Dr. C. W. G. Fishwicka* and Prof. A. P. Johnsona School of Chemistry, University of Leeds, UK, LS2 9JT and bSchool of Biochemistry and Microbiology, University of Leeds, UK, LS2 9JT see presentation |
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July
15-19, 2007,
Montreal, Canada ICTXI\u2013Eleventh International Congress of Toxicology: "Discovery Serving Society" a poster presentation on: "Peroxisome-Proliferator Activated Receptors as a Macromolecular Target for Chemical Toxicity: Models of the Interactions of PPARs with Perfluorinated Organic Compounds" by Michael-Rock Goldsmith, James Rabinowitz U.S EPA, ORD, Computational Toxicology Research Program see presentation |
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De
Novo Design & Synthesis of Novel RNA Polymerase Inhibitors as
Potential Anti-Tuberculosis Agents Anil K. Agarwal, Julian Hurdle, Amer I. AlOmar, Ian Chopra, A. Peter Johnson & Colin W. G. Fishwick see presentation |
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November
12-15, 2006,
San Paolo, Brasil The 3rd Brazilian Symposium on Medicinal Chemistry; " Recent Advances in Drug Discovery and Development", a poster presentation on: "Structures of the Pteridine Reductase (PTR1) from Trypanosoma brucei Complexed with Folate Analog Inhibitors." by Viviane Paula Martini (a), Jorge Iulek (a), William Nigel Hunter (b), Lindsay Brian Tulloch (b) a) Department of Chemistry, Biotechnology Center, State University of Ponta Grossa - PR, Brazil. b) Division of Biological Chemistry and Molecular Microbiology, School of Life Sciences, University of Dundee, UK.; e-mail: w.n.hunter@dundee.ac.uk, iulek@uepg.br see presentation |
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SimBioSys would like to recognize the efforts of those using our products by
including them on this website. If you have given a presentation or written
a publication using results obtained from eHiTS, please contact us so we can
acknowledge your work.
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2011 SimBioSys Inc., All rights reserved.
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