Drug Designing: Open Access
Open Access

International Conference and Exhibition on Computer Aided Drug Design & QSAR

October 29-31, 2012 DoubleTree by Hilton Chicago-North Shore, USA

Scientific Tracks Abstracts

• Recent technological advancements in ligand-based and structure-based modeling: BCL: Cheminfo and rosetta ligand

  Edward W. Lowe Jr.

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• Specificity of Heparin/Heparan sulfate binding to proteins

  Umesh R. Desai

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• Discovery of potent, selective and efficacious p38 MAPK inhibitor as clinical drug candidate

  Li Xing

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• QSAR model building and analysis of ADME properties: Understanding P-glycoprotein activity

  Sookhee Ha

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• Computer-aided design of inhibitors of DNA methyltransferases

  Jose L. Medina-Franco and Jakyung Yoo

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• Kinome-wide activity models from diverse high-quality datasets

  Steven M. Muskal and Stephan C. Schurer

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• Chemoinformatic strategies in the design of new linezolid-like 1,2,4-oxadiazoles active against multidrug resistant Gram-positive pathogens

  Cosimo G. Fortuna, Laura Goracci1, Rosario Musumeci and Andrea Pace

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• Screen 3D: A ligand-based 3D similarity search without conformational sampling

  Wei Deng (David) and Adrian Kalaszi

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• Pharmacophores vs Emerging fragments: Implications in the comprehension of polypharmacological and toxicological properties of chemical derivatives

  Ronan Bureau

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• Extract chemical information from patents using chemicalize and D2S (Document to Structure)

  Wei Deng (David)

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• Identifying neuraminidase residues likely to mutate with molecular mechanics free energy

  Kelly M. Thayer and Konstantin B. Zeldovich

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• Chemical targeting of protein methyltransferases

  Matthieu Schapira

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• A simple additive non-parametric regression method and its application to QSAR

  Tatsuya Takagi, Akiko Miyamoto, Rika Nishikiori, Masaya Kawase, Kousuke Okamoto, Norihito Kawashita, Asuka Hatabu, Haibo Wang and Teruo Yasunaga

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• Tumor Liberated Protein (TLP) and human corine in lung cancer cells: Homology or different isoforms in the sequence at the cytoplasmic surface

  Giulio Tarro

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• Screening for novel anti-dengue virus NS3/NS2B inhibitor

  Norihito Kawashita, Sabar Pambudi, Rie Kashiwada1, Teruo Yasunaga, Kazuyoshi Ikuta, Takeshi Kurosu and Tatsuya Takagi

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• Advanced pharmacophores for accurate virtual screening and identification of opioid lead compounds

  Sharon D. Bryant

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• Human papilloma virus 16 E6 protein as a target for curcuminoids, curcumin conjugates and congeners for chemoprevention of oral and cervical cancers

  Ajay Kumar Singh and Krishna Misra

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• Fuzzy neural network and fuzzy ARTMAP analyses of the affinity of inhibitors for HIV-1 protease

  Levente Fabry-Asztalos

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