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2007 CompTox Forum
Poster Presentations: Molecular Models
| 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) Poster (PDF, 245KB, 1pp) |
| Non-QSAR, Quantum-Chemical Prediction of Nitroaromatics Physical Properties (PDF, 15KB, 1pp) Contact: Leonid Gorb, ERDC (SpecPro) Poster (PDF, 144KB, 1pp) |
| Structure-guided Design of a Protein-based Therapeutic for Nerve Agent Exposure (PDF, 13KB, 1pp) Contact: Andrew Hemmert, The University of North Carolina at Chapel Hill Poster (PDF, 915KB, 1pp) |
| Novel In Silico Methods to Study and Anticipate Drug-drug Interactions (PDF, 15KB, 1pp) Contact: C. Anthony Hunt, University of California Poster (PDF, 177KB, 1pp) |
| Molecular Modeling Strategies for Predicting the Toxicity of Nanomaterials (PDF, 13KB, 1pp) Contact: Melissa Pasquinelli, North Carolina State University Poster (PDF, 94KB, 1pp) |
| Mutual Information Based Labeling of Pharmacophores and Toxicophores (PDF, 11KB, 1pp) Contact: Lisa Subissati, Chemical Computing Group Poster (PDF, 118KB, 1pp) |
| Identification of Previously Unrecognized Antiestrogenic Chemicals Using a Novel Virtual Screening Approach (PDF, 15KB, 1pp) Contact: (Nina) Ching Wang, U.S. EPA/Office of Research and Development (ORD)/National Center for Environmental Assessment (NCEA) Poster (PDF, 240KB, 1pp) |
| Shape Signatures: A Powerful New Technology for Risk Assessment (PDF, 13KB, 1pp) Contact: William Welsh, University of Medicine and Dentistry of New Jersey Poster (PDF, 77KB, 1pp) |
| Structural Analysis of Toxicophore Interactions with Biomolecules (PDF, 13KB, 1pp) Contact: William Welsh, University of Medicine and Dentistry of New Jersey Poster (PDF, 163KB, 1pp) |
| Comparison of TEFs and REPs Predicted by Quantitative Spectrometric Data-Activity Relationships and REPs Determined by a Luciferase Gene Expression Assay for 1,3,7,8-TCDD and 1,2,3,4,7-PeCDD (PDF, 16KB, 1pp) Contact: Jon Wilkes, U.S. Food and Drug Administration (FDA)/National Center for Toxicological Research (NCTR) Poster (PDF, 86KB, 1pp) |