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Computational chemogenomics / edited by Edgar Jacoby.

Contributor(s): Jacoby, Edgar [editor.]Material type: TextTextPublisher: Boca Raton, FL : CRC Press : Pan Stanford Publishing, [2013]Copyright date: �2013Description: 1 online resource : text file, PDFContent type: text Media type: computer Carrier type: online resourceISBN: 9789814411400 (ebook : PDF)Subject(s): Chemogenomics | Genetic programming (Computer science)Genre/Form: Electronic books.Additional physical formats: Print version:: No titleOnline resources: Click here to access online Also available in print format.
Contents:
1. Chemogenomics approaches for the quantitative comparison of biological targets / Herbert Koeppen and Michael Bieler -- 2. Considerations on the drug-like chemical space / Jean-Louis Reymond, Lars Ruddigkeit, and Mahendra Awale -- 3. Chemogenomic protein-family methods in drug discovery : profile-QSAR and kinase-kernel / Prasenjit Mukherjee and Eric Martin -- 4. Virtual screening and target fishing for natural products using 3D pharmacophores / Gerhard Wolber and Judith M. Rollinger -- 5. Computational analysis of ligand-binding pockets / Felix Reisen and Gisbert Schneider -- 6. Binding site similarity search to identify novel target-ligand complexes / Didier Rognan -- 7. ChemProt : a disease chemical biology database / Olivier Taboureau and Tudor I. Oprea -- 8. Scientific requirements for the next-generation semantic web-based chemogenomics and systems chemical biology molecular information system OPS / Edgar Jacoby, Kamal Azzaoui, Stefan Senger, Emiliano Cuadrado Rodr�iguez, Mabel Loza, Antony J. Williams, Victor de la Torre, Jordi Mestres, Olivier Taboureau, Matthias Rarey, Christine Chichester, Niklas Blomberg, Lee Harland, Barbara Zdrazil, Marta Pinto, and Gerhard Ecker.
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Includes bibliographical references and index.

1. Chemogenomics approaches for the quantitative comparison of biological targets / Herbert Koeppen and Michael Bieler -- 2. Considerations on the drug-like chemical space / Jean-Louis Reymond, Lars Ruddigkeit, and Mahendra Awale -- 3. Chemogenomic protein-family methods in drug discovery : profile-QSAR and kinase-kernel / Prasenjit Mukherjee and Eric Martin -- 4. Virtual screening and target fishing for natural products using 3D pharmacophores / Gerhard Wolber and Judith M. Rollinger -- 5. Computational analysis of ligand-binding pockets / Felix Reisen and Gisbert Schneider -- 6. Binding site similarity search to identify novel target-ligand complexes / Didier Rognan -- 7. ChemProt : a disease chemical biology database / Olivier Taboureau and Tudor I. Oprea -- 8. Scientific requirements for the next-generation semantic web-based chemogenomics and systems chemical biology molecular information system OPS / Edgar Jacoby, Kamal Azzaoui, Stefan Senger, Emiliano Cuadrado Rodr�iguez, Mabel Loza, Antony J. Williams, Victor de la Torre, Jordi Mestres, Olivier Taboureau, Matthias Rarey, Christine Chichester, Niklas Blomberg, Lee Harland, Barbara Zdrazil, Marta Pinto, and Gerhard Ecker.

Also available in print format.

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