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

Accepted Abstracts

• The prediction of MHC-binder and conformational epitope of Campylobacter jejuni: A combine approach

  A. G. Ingale

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• Modeling and simulating the effects of atorvastatin on the central carbon metabolism of rat hepatocytes using SBML simulator

  Andreas Drager, Ute Hofmann, Roland Keller, Stephanie Tscherneck, Benjamin Kan-del, Maria Thomas, Markus Klein, Ulrich M. Zanger and Andreas Zell1

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• Structural insight of PKCßII-ligand interactions and impact of crystal water on it: Comparative molecular dynamics study

  Baljinder K.Grewal and M.E.Sobhia

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• A universal exchange language for secure data exchange, consent, data mining, and inference in the healthcare, pharmaceutical and life sciences

  Barry Robson

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• Computer based screening for novel inhibitors against V. cholerae using NCI diversity set-II and ZINC natural products database

  Bijendra Khadka, Shakhinur Islam Mondol, Prodip Kumar Roy and Razia Sultana

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• Correlations of structures from homology modeling and circular dichroism in understanding organic solvent stability of elastase strain K

  Chee Fah Wong1, Raja Noor Zaliha Raja Abd. Rahman, Mahiran Basri and Abu Bakar Salleh

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• Binding ligand prediction by comparing local surface patches of potential pocket regions

  Daisuke Kihara

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• Shape based profiling of fragment collections

  Dave Sheppard

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• A decision support system for the identification of synthetically accessible HCV inhibitors

  Georgia Melagraki and Antreas Afantitis

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• Statistical properties of activity landscapes

  Gerald Maggiora, Martin Vogt, Dagmar Stumpfe and Jurgen Bajorath

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• ADME Tox of diversified chemical scaffolds: NCEs & multi-component herbal products

  G. K. Jain

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• Structure-based discovery of picomolar Qo site inhibitors of cytochrome bc1 complex

  Guang-Fu Yang, Ge-Fei Hao, Fu Wang, Hui Li and Xiao-Lei Zhu

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• Development and validation of a robust QSAR model for prediction piperazine and ketopiperazine derivatives renin inhibitors

  Jimish R Patel, Mukesh S Patel and Laxman M Prajapati

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• Fractal MapReduce decomposition of sequence alignment

  S. A. Muslimov, E. R. Muldashev, L. A. Musina, R. T. Nigmatullin, A. I. Lebedeva, O. R. Shangina and R. A. Khasanov

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• Novel drug design for Alzheimer’s disease by insilico approach

  Jyothi Vanama1 G. Girija Sankar and C. Sundaramoorthi

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• Nanobiotechnology: Biochips connecting to the DNA computers- A tool for biomedical application

  Krithika Shankaran

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• Identification of selective PTP1B allosteric inhibitors using in silico approaches

  M. Elizabeth Sobhia and Ranajit Shinde

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• Ser-51 phosphorylation of translation initiation factor 2a: Specificity determinants with respect to domain context

  Madhusudan Dey and Brian Rick Mann

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• Efficient incorporation of protein flexibility into protein-ligand docking

  Markus Lill

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• New emerging treatment strategies for multiple sclerosis

  Mike Namaka

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• The substrate-envelope approach: A robust tool to design inhibitors against drug targets that exhibit promiscuous molecular specificity

  Moses Prabu

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• Design and synthesis of several novel prodrugs via mimicking enzymes catalysis

  Rafik Karaman

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• Comparison of binding affinities and ADMET properties of lysine sulfonamide and cyclic urea derivatives with commercial HIV protease inhibitors for the MDR mutants

  Ravi Yogesh and Raghu Nath Behera

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• Validating MDM2 oncogene as a cancer target

  Ruiwen Zhang

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• A structural and dynamical model of human telomerase

  Samuel Coulbourn Flores

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• Designing of a new anticancer agent: An internet based drug design approach

  Soumendranath Bhakat

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• Molecular docking study and SAR of Triazolopyrimidines fused with Imidazole, Pyrazole and Pyrazine as XO inhibitors

  Tomohisa Nagamatsu

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• Statistical inference and extrapolation uncertainty in QSAR predictions

  Ullrika Sahlin

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• Designing and characterizing small molecule inhibitor(s) for mitochondrial transcription factor A (TFAM) for therapeutic benefit of Cancer

  Emine Guven Maiorov, Ozlem Keskin, Meltem Muftuoglu and Attila Gursoy

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• GPCR automodel: A web server for the molecular study of olfactory and other G proteincoupled receptor

  Jean-François Gibrat , Guillaume Launay, Edith Pajot-Augy , and Guenhaël Sanz

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• Computational analysis of cancer epigenome and transcriptome Wei Li Baylor college of medicine

  Li Wei

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• Use of computer aided drug design methods and structural biology in the discovery of a new class of clinical candidates for Diabetes & one FDA approved drug for AIDS

  M. Rami Reddy

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• Pharmacophore modeling, and 3D-QSAR studies of 2- benzanilide derivatives as Isocirate lyase (ICL) inhibitors

  Nirzari Gupta

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• Future therapies for Hepatitis C disease: Ribavarin mono phosphate- inhibitor for protease enzyme

  Sandeep Raja Dangeti

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