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[null,"1.","Record Nr.",null,"UNINA9910144275303321"]
[null,null,"Autore",null,"Cruciani Gabriele"]
[null,null,"Titolo",null,"Molecular Interaction Fields [[electronic resource] ] : Applications in Drug Discovery and ADME Prediction"]
[null,null,"Pubbl/distr/stampa",null,"Hoboken, : Wiley, 2006"]
[null,null,"ISBN",null,"1-280-85421-9"]
[{"$nulls":4},"9786610854219"]
[{"$nulls":4},"3-527-60767-6"]
[{"$nulls":4},"3-527-60713-7"]
[null,null,"Descrizione fisica",null,"1 online resource (323 p.)"]
[null,null,"Collana",null,"Methods and Principles in Medicinal Chemistry ; ; v.33"]
[null,null,"Disciplina",null,"615.19"]
[null,null,"Soggetti",null,"Biomolecules"]
[{"$nulls":4},"Chemical reactions -- Computer simulation"]
[{"$nulls":4},"Chemicals -- Pharmacokinetics -- Forecasting"]
[{"$nulls":4},"Chemicals -- Physiological effect -- Forecasting"]
[{"$nulls":4},"Drug development"]
[{"$nulls":4},"Pharmaceutical chemistry"]
[{"$nulls":4},"Structure-activity relationships (Biochemistry) -- Computer simulation"]
[{"$nulls":4},"Pharmaceutical chemistry - Physiological effect - Forecasting"]
[{"$nulls":4},"Chemicals - Computer simulation"]
[{"$nulls":4},"Chemical reactions - Computer simulation"]
[{"$nulls":4},"Structure-activity relationships (Biochemistry)"]
[{"$nulls":4},"Computational Biology"]
[{"$nulls":4},"Models, Molecular"]
[{"$nulls":4},"Quantitative Structure-Activity Relationship"]
[{"$nulls":4},"Computer Simulation"]
[{"$nulls":4},"Drug Design"]
[{"$nulls":4},"Pharmaceutical Preparations"]
[{"$nulls":4},"Software"]
[{"$nulls":4},"Structure-Activity Relationship"]
[{"$nulls":4},"Biology"]
[{"$nulls":4},"Drug Discovery"]
[{"$nulls":4},"Computing Methodologies"]
[{"$nulls":4},"Chemicals and Drugs"]
[{"$nulls":4},"Models, Theoretical"]
[{"$nulls":4},"Biological Science Disciplines"]
[{"$nulls":4},"Chemistry, Pharmaceutical"]
[{"$nulls":4},"Biochemical Phenomena"]
[{"$nulls":4},"Information Science"]
[{"$nulls":4},"Pharmacological Phenomena"]
[{"$nulls":4},"Investigative Techniques"]
[{"$nulls":4},"Natural Science Disciplines"]
[{"$nulls":4},"Analytical, Diagnostic and Therapeutic Techniques and Equipment"]
[{"$nulls":4},"Pharmacology"]
[{"$nulls":4},"Physiological Phenomena"]
[{"$nulls":4},"Chemistry"]
[{"$nulls":4},"Chemical Phenomena"]
[{"$nulls":4},"Phenomena and Processes"]
[{"$nulls":4},"Disciplines and Occupations"]
[{"$nulls":4},"Pharmacy, Therapeutics, & Pharmacology"]
[{"$nulls":4},"History of Medicine"]
[{"$nulls":4},"Health & Biological Sciences"]
[{"$nulls":4},"Medicine"]
[{"$nulls":4},"Electronic books."]
[null,null,"Lingua di pubblicazione",null,"Inglese"]
[null,null,"Formato",null,"Materiale a stampa"]
[null,null,null,"Livello bibliografico","Monografia"]
[null,null,null,"Note generali","Description based upon print version of record."]
[null,null,"Nota di contenuto",null,"Molecular Interaction Fields; A Personal Foreword; Contents; Preface; List of Contributors; I Introduction; 1 The Basic Principles of GRID; 1.1 Introduction; 1.2 Philosophy and Objectives; 1.3 Priorities; 1.4 The GRID Method; 1.4.1 GRID Probes Are Anisometric; 1.4.2 The Target \"Responds\" to the Probe; 1.4.3 The Target is Immersed in Water; 1.5 The GRID Force Field; 1.5.1 The Lennard-Jones Term; 1.5.2 The Electrostatic Term; 1.5.3 The Hydrogen Bond Term; 1.5.4 The Other Terms; 1.6 Nomenclature; 1.6.1 \"ATOM\" Records; 1.6.2 \"HETATM\" Records; 1.7 Calibrating the GRID Force Field"]
[{"$nulls":4},"1.7.1 Checking the Calibration1.7.2 Checking Datafile GRUB; 1.8 The Output from GRID; 1.8.1 GRID Maps from Macromolecules; 1.8.2 GRID Maps from a Small Molecule; 1.9 Conclusions; 2 Calculation and Application of Molecular Interaction Fields; 2.1 Introduction; 2.2 Calculation of MIFs; 2.2.1 The Target; 2.2.2 The Probe; 2.2.3 The Interaction Function; 2.2.3.1 Van der Waals Interactions; 2.2.3.2 Electrostatic Interactions; 2.2.3.3 Hydrogen Bonds; 2.2.3.4 Entropy; 2.3 Selected Applications of MIFs; 2.3.1 Mapping a Ligand Binding Site in a Protein; 2.3.2 Deriving 3D-QSARs"]
[{"$nulls":4},"2.3.3 Similarity Analysis of a Set of Related Molecules2.4 Concluding Remarks and Outlook; II Pharmacodynamics; 3 Protein Selectivity Studies Using GRID-MIFs; 3.1 Introduction; 3.2 GRID Calculations and Chemometric Analysis; 3.2.1 Source and Selection of Target Structures; 3.2.2 Selection and Superimposition of Binding Sites; 3.2.3 Calculation of the Molecular Interaction Field; 3.2.4 Matrix Generation and Pretreatments; 3.2.4.1 Region Cut-outs; 3.2.5 GRID/PCA; 3.2.5.1 Score Plots; 3.2.5.2 Two-Dimensional Loading Plots; 3.2.5.3 Loading Contour Maps; 3.2.5.4 Problems of GRID/PCA"]
[{"$nulls":4},"3.2.6 GRID/CPCA3.2.6.1 Block Unscaled Weights; 3.2.6.2 CPCA; 3.2.6.3 Identification of Important Variable Blocks for Selectivity; 3.2.6.4 Contour Plots; 3.3 Applications; 3.3.1 DNA Minor Groove Binding - Compare AAA and GGG Double Helix; 3.3.2 Dihydrofolate Reductase; 3.3.3 Cyclooxygenase; 3.3.4 Penicillin Acylase; 3.3.5 Serine Proteases; "]
[{"$nulls":4},"3.3.5.1 S1 Pocket; 3.3.5.2 P Pocket; 3.3.5.3 D Pocket; 3.3.6 CYP450; 3.3.7 Target Family Landscapes of Protein Kinases; 3.3.8 Matrix Metalloproteinases (MMPs); 3.3.9 Nitric Oxide Synthases; 3.3.10 PPARs; 3.3.11 Bile Acid Transportation System"]
[{"$nulls":4},"3.3.12 Ephrin Ligands and Eph Kinases3.4 Discussion and Conclusion; 4 FLAP: 4-Point Pharmacophore Fingerprints from GRID; 4.1 Introduction; 4.1.1 Pharmacophores and Pharmacophore Fingerprints; 4.1.2 FLAP; 4.2 FLAP Theory; 4.3 Docking; 4.3.1 GLUE: A New Docking Program Based on Pharmacophores; 4.3.2 Case Study; 4.4 Structure Based Virtual Screening (SBVS); 4.5 Ligand Based Virtual Screening (LBVS); 4.6 Protein Similarity; 4.7 TOPP (Triplets of Pharmacophoric Points); 4.8 Conclusions; 5 The Complexity of Molecular Interaction: Molecular Shape Fingerprints by the PathFinder Approach"]
[{"$nulls":4},"5.1 Introduction"]
[null,null,null,"Sommario/riassunto","This unique reference source, edited by the world's most respected expert on molecular interaction field software, covers all relevant principles of the GRID force field and its applications in medicinal chemistry. Entire chapters on 3D-QSAR, pharmacophore searches, docking studies, metabolism predictions and protein selectivity studies, among others, offer a concise overview of this emerging field. As an added bonus, this handbook includes a CD-ROM with the latest commercial versions of the GRID program and related software."]
[null,"2.","Record Nr.",null,"UNINA9910816119203321"]
[null,null,"Autore",null,"Beatty David M."]
[null,null,"Titolo",null,"Constitutional law in theory and practice / / David Beatty"]
[null,null,"Pubbl/distr/stampa",null,"Toronto, Ontario ; ; Buffalo, New York ; ; London, England : , : University of Toronto Press, , 1995"]
[{"$nulls":4},"©1995"]
[null,null,"ISBN",null,"1-4426-5975-0"]
[{"$nulls":4},"1-4426-5517-8"]
[null,null,"Edizione",null,"[2nd ed.]"]
[null,null,"Descrizione fisica",null,"1 online resource (217 p.)"]
[null,null,"Collana",null,"Heritage"]
[null,null,"Disciplina",null,"342.71"]
[null,null,"Soggetti",null,"Constitutional law - Canada"]
[{"$nulls":4},"Constitutional law"]
[{"$nulls":4},"Civil rights - Social aspects"]
[{"$nulls":4},"Social contract"]
[{"$nulls":4},"Electronic books."]
[{"$nulls":4},"Canada"]
[null,null,"Lingua di pubblicazione",null,"Inglese"]
[null,null,"Formato",null,"Materiale a stampa"]
[null,null,null,"Livello bibliografico","Monografia"]
[null,null,null,"Note generali","Includes index."]
[null,null,null,"Nota di bibliografia","Includes bibliographical references (pages 163-199) and index."]
[null,null,"Nota di contenuto",null,"Cover -- Contents -- Preface -- 1 Constitutional Law -- Introduction -- Constitutions -- Purpose -- Style -- The Dilemma -- Methods of Reform -- Constitutional Law -- Purpose and Method -- The Controversy -- The Rules -- 2 Division of Powers -- Introduction -- What Do the Words Mean? -- The Plain-Meaning Approach -- External Aids: Dictionaries and Precedents -- Internal Aids: The Intention of the Framers and the Logic of the Text -- The Federal Principle -- Guaranteeing Equal Sovereignty -- Maximizing Equal Sovereignty -- Constitutional Law -- The Rules -- The Rules and the Record of the Court -- The Possibility of Judicial Review -- 3 Human Rights -- Introduction -- What Do the Words Mean? -- External Aids: American and Canadian Bills of Rights -- Internal Aids: The Intention of the Framers and the Logic of the Text -- Defining Rights -- Fundamental Freedoms: Expression and Religion -- Reasonable Limits and Maximizing Rights -- Human Rights and Legal Reasoning -- Human Rights and the Rules of Constitutional Law -- Rationality, Proportionality, and the Record of the Court -- Human Rights and Judicial Exemptions -- Scope of the Charter: Where Rationality and Proportionality Do Not Apply -- Human Rights and Judicial Deference "]
[{"$nulls":4},"-- The Possibility of Judicial Review -- 4 Comparative Constitutional Law -- Introduction -- The United States -- India -- Japan -- Germany -- The European Court of Human Rights -- 5 Law and Politics -- Rights and the Rules of Law -- Rights and Duties -- Law and Politics -- Notes -- Index -- A -- B -- C -- D -- E -- F -- G -- H -- I -- L -- M -- N -- O -- P -- R -- S -- U -- V -- W."]
[null,null,null,"Sommario/riassunto","David Beatty draws on more than twenty years' teaching experience to produce a comprehensive introduction to the basic rules in constitutional law, accessible to law and non-law students alike."]
[null,"3.","Record Nr.",null,"UNINA9910172222003321"]
[null,null,"Autore",null,"Tansey Stephen D. <1942->"]
[null,null,"Titolo",null,"Business, information technology and society / / Stephen D. Tansey ; with contributions by Geoffrey Darnton and John Wateridge"]
[null,null,"Pubbl/distr/stampa",null,"London ; ; New York, : Routledge, 2003"]
[null,null,"ISBN",null,"1-134-65208-9"]
[{"$nulls":4},"1-134-65209-7"]
[{"$nulls":4},"1-280-18205-9"]
[{"$nulls":4},"0-203-45467-7"]
[{"$nulls":4},"0-585-46764-1"]
[null,null,"Descrizione fisica",null,"1 online resource (273 p.)"]
[null,null,"Classificazione",null,"85.15"]
[null,null,"Disciplina",null,"303.48/33"]
[{"$nulls":4},"658.4038011"]
[null,null,"Soggetti",null,"Information technology"]
[{"$nulls":4},"Information technology - Social aspects"]
[{"$nulls":4},"Technological innovations - Management"]
[{"$nulls":4},"Information society"]
[null,null,"Lingua di pubblicazione",null,"Inglese"]
[null,null,"Formato",null,"Materiale a stampa"]
[null,null,null,"Livello bibliografico","Monografia"]
[null,null,null,"Note generali","Description based upon print version of record."]
[null,null,null,"Nota di bibliografia","Includes bibliographical references (p. [241]-248) and index."]
[null,null,"Nota di contenuto",null,"Book Cover; Title; Contents; List of figures; List of tables; List of case studies; List of boxes; List of exercises; Introduction; Acknowledgements; The environment of computing; The environment of computing: a systems approach; The IT industry and the information economy; Government, globalization and information technology; Regulating computing; The workplace and IT; IT and organizations; IT and jobs; IT and the environment; IT and society: the need for choice; Glossary, including acronyms and abbreviations; On-line resources; Bibliography; Index"]
[null,null,null,"Sommario/riassunto","r complete and readable introduction to the nature and impact of new information and communication technologies on business and society."]