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Computational drug design : a guide for computational and medicinal chemists / / David C. Young
| Computational drug design : a guide for computational and medicinal chemists / / David C. Young |
| Autore | Young David C. <1964-> |
| Edizione | [1st ed.] |
| Pubbl/distr/stampa | Hoboken, N.J., : John Wiley & Sons, c2009 |
| Descrizione fisica | 1 online resource (xxxvi, 307 pages) : illustrations |
| Disciplina | 615/.190285 |
| Soggetto topico |
Drugs - Design - Mathematical models
Drugs - Design - Data processing |
| ISBN |
1-282-26783-3
9786612267833 0-470-45185-8 0-470-45184-X |
| Formato | Materiale a stampa  |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto |
COMPUTATIONAL DRUG DESIGN; CONTENTS; PREFACE; ACKNOWLEDGMENTS; ABOUT THE AUTHOR; SYMBOLS USED IN THIS BOOK; BOOK ABSTRACT; 1 Introduction; 1.1 A Difficult Problem; 1.2 An Expensive Problem; 1.3 Where Computational Techniques are Used; Bibliography; PART I THE DRUG DESIGN PROCESS; 2 Properties that Make a Molecule a Good Drug; 2.1 Compound Testing; 2.1.1 Biochemical Assays; 2.1.2 Cell-Based Assays; 2.1.3 Animal Testing; 2.1.4 Human Clinical Trials; 2.2 Molecular Structure; 2.2.1 Activity; 2.2.2 Bioavailability and Toxicity; 2.2.3 Drug Side Effects; 2.2.4 Multiple Drug Interactions
2.3 Metrics for Drug-Likeness; 2.4 Exceptions to the Rules; Bibliography; 3 Target Identification; 3.1 Primary Sequence and Metabolic Pathway; 3.2 Crystallography; 3.3 2D NMR; 3.4 Homology Models; 3.5 Protein Folding; Bibliography; 4 Target Characterization; 4.1 Analysis of Target Mechanism; 4.1.1 Kinetics and Crystallography; 4.1.2 Automated Crevice Detection; 4.1.3 Transition Structures and Reaction Coordinates; 4.1.4 Molecular Dynamics Simulations; 4.2 Where the Target is Expressed; 4.3 Pharmacophore Identification; 4.4 Choosing an Inhibitor Mechanism; Bibliography 5 The Drug Design Process for a Known Protein Target; 5.1 The Structure-Based Design Process; 5.2 Initial Hits; 5.3 Compound Refinement; 5.4 ADMET; 5.5 Drug Resistance; Bibliography; 6 The Drug Design Process for an Unknown Target; 6.1 The Ligand-Based Design Process; 6.2 Initial Hits; 6.3 Compound Refinement; 6.4 ADMET; Bibliography; 7 Drug Design for Other Targets; 7.1 DNA Binding; 7.2 RNA as a Target; 7.3 Allosteric Sites; 7.4 Receptor Targets; 7.5 Steroids; 7.6 Targets inside Cells; 7.7 Targets within the Central Nervous System; 7.8 Irreversibly Binding Inhibitors 7.9 Upregulating Target Activity; Bibliography; 8 Compound Library Design; 8.1 Targeted Libraries versus Diverse Libraries; 8.2 From Fragments versus from Reactions; 8.3 Non-Enumerative Techniques; 8.4 Drug-Likeness and Synthetic Accessibility; 8.5 Analyzing Chemical Diversity and Spanning known Chemistries; 8.6 Compound Selection Techniques; Bibliography; PART II COMPUTATIONAL TOOLS AND TECHNIQUES; 9 Homology Model Building; 9.1 How much Similarity is Enough?; 9.2 Steps for Building a Homology Model; 9.2.1 Step 1: Template Identification 9.2.2 Step 2: Alignment between the Unknown and the Template; 9.2.3 Step 3: Manual Adjustments to the Alignment; 9.2.4 Step 4: Replace Template Side Chains with Model Side Chains; 9.2.5 Step 5: Adjust Model for Insertions and Deletions; 9.2.6 Step 6: Optimization of the Model; 9.2.7 Step 7: Model Validation; 9.2.8 Step 8: If Errors are Found, Iterate Back to Previous Steps; 9.3 Reliability of Results; Bibliography; 10 Molecular Mechanics; 10.1 A Really Brief Introduction to Molecular Mechanics; 10.2 Force Fields for Drug Design; Bibliography; 11 Protein Folding; 11.1 The Difficulty of the Problem |
| Record Nr. | UNINA-9910145814603321 |
Young David C. <1964->
|
||
| Hoboken, N.J., : John Wiley & Sons, c2009 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
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Drug design [[electronic resource] ] : cutting edge approaches / / edited by Darren R. Flower
| Drug design [[electronic resource] ] : cutting edge approaches / / edited by Darren R. Flower |
| Pubbl/distr/stampa | Cambridge, U.K., : Royal Society of Chemistry, c2002 |
| Descrizione fisica | 1 online resource (204 p.) |
| Disciplina | 615.19 |
| Altri autori (Persone) | FlowerDarren R |
| Collana | Special publication |
| Soggetto topico |
Drugs - Design
Drugs - Design - Mathematical models Artificial intelligence - Medical applications Drugs - Research - Methodology |
| Soggetto genere / forma | Electronic books. |
| ISBN |
1-84755-070-3
1-60119-027-1 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto | CONTENTS; Molecular Informatics: Sharpening Drug Design's Cutting Edge; High-Throughput X-Ray Crystallography for Drug Discovery; Trawling the Genome for G Protein-coupled Receptors: the Importance of Integrating Bioinformatic Approaches; Virtual Screening of Virtual Libraries - an Efficient Strategy for LeadGeneration; Virtual Techniques for Lead Optimisation; The Impact of Physical Organic Chemistry on the Control of Drug-likeProperties; Mutagenesis and Modelling Highlight the Critical Nature of theTM2-loop-TM3 Region of Biogenic Amine GPCRS; Computational Vaccine Design; Subject Index |
| Record Nr. | UNINA-9910450162003321 |
| Cambridge, U.K., : Royal Society of Chemistry, c2002 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
| ||
Drug design : cutting edge approaches / / editor, Darren R. Flower
| Drug design : cutting edge approaches / / editor, Darren R. Flower |
| Pubbl/distr/stampa | Cambridge : , : Royal Society of Chemistry, , 2002 |
| Descrizione fisica | 1 online resource (x, 192 pages) : illustrations |
| Disciplina | 615.19 |
| Altri autori (Persone) | FlowerDarren R |
| Collana | Special publication |
| Soggetto topico |
Drugs - Design
Drugs - Design - Mathematical models Artificial intelligence - Medical applications Drugs - Research - Methodology |
| ISBN |
1-84755-070-3
1-60119-027-1 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto | CONTENTS; Molecular Informatics: Sharpening Drug Design's Cutting Edge; High-Throughput X-Ray Crystallography for Drug Discovery; Trawling the Genome for G Protein-coupled Receptors: the Importance of Integrating Bioinformatic Approaches; Virtual Screening of Virtual Libraries - an Efficient Strategy for LeadGeneration; Virtual Techniques for Lead Optimisation; The Impact of Physical Organic Chemistry on the Control of Drug-likeProperties; Mutagenesis and Modelling Highlight the Critical Nature of theTM2-loop-TM3 Region of Biogenic Amine GPCRS; Computational Vaccine Design; Subject Index |
| Record Nr. | UNINA-9910783441703321 |
| Cambridge : , : Royal Society of Chemistry, , 2002 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
| ||
Drug design : cutting edge approaches / / editor, Darren R. Flower
| Drug design : cutting edge approaches / / editor, Darren R. Flower |
| Pubbl/distr/stampa | Cambridge : , : Royal Society of Chemistry, , 2002 |
| Descrizione fisica | 1 online resource (x, 192 pages) : illustrations |
| Disciplina | 615.19 |
| Altri autori (Persone) | FlowerDarren R |
| Collana | Special publication |
| Soggetto topico |
Drugs - Design
Drugs - Design - Mathematical models Artificial intelligence - Medical applications Drugs - Research - Methodology |
| ISBN |
1-84755-070-3
1-60119-027-1 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto | CONTENTS; Molecular Informatics: Sharpening Drug Design's Cutting Edge; High-Throughput X-Ray Crystallography for Drug Discovery; Trawling the Genome for G Protein-coupled Receptors: the Importance of Integrating Bioinformatic Approaches; Virtual Screening of Virtual Libraries - an Efficient Strategy for LeadGeneration; Virtual Techniques for Lead Optimisation; The Impact of Physical Organic Chemistry on the Control of Drug-likeProperties; Mutagenesis and Modelling Highlight the Critical Nature of theTM2-loop-TM3 Region of Biogenic Amine GPCRS; Computational Vaccine Design; Subject Index |
| Record Nr. | UNINA-9910814355903321 |
| Cambridge : , : Royal Society of Chemistry, , 2002 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
| ||
Evolutionary algorithms in molecular design [[electronic resource] /] / edited by David E. Clark
| Evolutionary algorithms in molecular design [[electronic resource] /] / edited by David E. Clark |
| Pubbl/distr/stampa | Weinheim ; ; New York, : Wiley-VCH, c2000 |
| Descrizione fisica | 1 online resource (294 p.) |
| Disciplina | 615.1900285 |
| Altri autori (Persone) | ClarkDavid E. <1966-> |
| Collana | Methods and principles in medicinal chemistry |
| Soggetto topico |
Drugs - Design - Mathematical models
Evolutionary computation Evolutionary programming (Computer science) |
| Soggetto genere / forma | Electronic books. |
| ISBN |
1-283-37033-6
9786613370334 3-527-61316-1 3-527-61317-X |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto |
Evolutionary Algorithms in Molecular Design; Contents; 1 Introduction to Evolutionary Algorithms; 1.1 History and Biological Motivation; 1.2 Descriptive Comparison of Algorithms; 1.2.1 Representation; 1.2.2 Evolotionary Operators; 1.2.3 Selection and the Next Generation; 1.2.4 Self-Adaptation and Learning-Rule Methods; 1.3 Implementation Issues and Representative Applications of EAs in Drug Design; 1.3.1 Problem-Adapted EA Features; 1.3.2 Problem Suitability for EA Implementation; 1.3.3 EA Combination Methods; 1.4 Conclusions; 2 Small-molecule Geometry Optimization and Conformational Search
2.1 Introduction2.2 Evolutionary Algorithms; 2.2.1 Diversity; 2.2.2 Creation of New Solutions; 2.2.3 Constraint Satisfaction; 2.3 Technical Aspects of Method Comparisons; 2.4 Traditional Methods for Structure Optimization; 2.5 Evolutionary Methods for Structure Optimization; 2.5.1 Satisfying Constraints from Experiments; 2.5.2 Energy Minimization; 2.6 Discussion; 2.7 Conclusions; 3 Protein-Ligand Docking; 3.1 Molecular Structure and Medicine; 3.2 Computational Protein-Ligand Docking; 3.2.1 Scoring Functions; 3.2.2 Level of Allowed Molecular Flexibility 3.2.3 Testing and Evaluating Docking Methods3.3 Evolutionary Algorithms for Protein-Ligand Docking; 3.4 Published Methods; 3.5 Representation of the Genome; 3.6 Hybrid Evolutionary Algorithms; 3.7 Conclusions; 4 De Now Molecular Design; 4.1 Introduction; 4.2 Overview of a Genetic Algorithm; 4.3 Defining the Constraints; 4.4 Applications of EAs to De Novo Design; 4.5 Applications of EAs to Pharmacophore Mapping; 4.6 Applications of EAs to Receptor Modeling; 4.7 Discussion; 4.8 Conclusions; 5 Quantitative Structure- Activity Relationships; 5.1 Introduction; 5.2 Key Tasks in QSAR Development 5.2.1 Descriptor Tabulation5.2.2 Feature Selection; 5.2.3 Model Construction; 5.2.4 Model Validation; 5.3 Availability of GA Programs; 5.4 Applications of GAs in QSAR; 5.4.1 GA-MLR Approach; 5.4.2 GA-PLS; 5.4.3 GA-NN; 5.4.4 Chance Correlation; 5.5 Discussion; 6 Chemometrics; 6.1 Introduction; 6.2 Parameter Estimation; 6.2.1 Curve Fitting; 6.2.2 Nonlinear Modeling; 6.2.3 Neural Networks; 6.3 Subset Selection; 6.3.1 Feature Selection; 6.3.2 Object Selection; 6.4 Miscellaneous; 6.4.1 Clustering and Classification; 6.5 Discussion; 7 Chemical Structure Handling; 7.1 Introduction 7.2 Representation and Searching of Chemical Structures7.3 Processing of 2-D Chemical Graphs; 7.4 Processing of 3-D Chemical Graphs; 7.4.1 Flexible 3-D Substructure Searching; 7.4.2 Identification of Common Structural Features in Sets of Ligands; 7.5 Field-Based Similarity Searching; 7.6 Generation of Molecular Alignments; 7.7 Conclusions; 8 Molecular Diversity Analysis and Combmatorial Library Design; 8.1 Introduction; 8.2 The Diversity of Genotypes: The Space of Chemistry; 8.3 The Diversity of Phenotypes: The Property Space; 8.4 Diversity and Distance Calculation 8.5 Connecting the Structure and the Property Space: Evolutionary Algorithms |
| Record Nr. | UNINA-9910144126803321 |
| Weinheim ; ; New York, : Wiley-VCH, c2000 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
| ||
Evolutionary algorithms in molecular design / edited by David E. Clark
| Evolutionary algorithms in molecular design / edited by David E. Clark |
| Pubbl/distr/stampa | Weinheim ; New York : Wiley-VCH, c2000 |
| Descrizione fisica | xi, 276 p. : ill. , 23 cm |
| Disciplina | 615.19 |
| Altri autori (Persone) | Clark, David E., 1966- |
| Collana | Methods and principles in medicinal chemistry ; 8 |
| Soggetto topico |
Drugs - Design - Mathematical models
Evolutionary programming (Computer science) Molecules - Models - Design and construction |
| ISBN | 3527301550 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Record Nr. | UNISALENTO-991001713399707536 |
| Weinheim ; New York : Wiley-VCH, c2000 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. del Salento | ||
| ||
Evolutionary algorithms in molecular design [[electronic resource] /] / edited by David E. Clark
| Evolutionary algorithms in molecular design [[electronic resource] /] / edited by David E. Clark |
| Pubbl/distr/stampa | Weinheim ; ; New York, : Wiley-VCH, c2000 |
| Descrizione fisica | 1 online resource (294 p.) |
| Disciplina | 615.1900285 |
| Altri autori (Persone) | ClarkDavid E. <1966-> |
| Collana | Methods and principles in medicinal chemistry |
| Soggetto topico |
Drugs - Design - Mathematical models
Evolutionary computation Evolutionary programming (Computer science) |
| ISBN |
1-283-37033-6
9786613370334 3-527-61316-1 3-527-61317-X |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto |
Evolutionary Algorithms in Molecular Design; Contents; 1 Introduction to Evolutionary Algorithms; 1.1 History and Biological Motivation; 1.2 Descriptive Comparison of Algorithms; 1.2.1 Representation; 1.2.2 Evolotionary Operators; 1.2.3 Selection and the Next Generation; 1.2.4 Self-Adaptation and Learning-Rule Methods; 1.3 Implementation Issues and Representative Applications of EAs in Drug Design; 1.3.1 Problem-Adapted EA Features; 1.3.2 Problem Suitability for EA Implementation; 1.3.3 EA Combination Methods; 1.4 Conclusions; 2 Small-molecule Geometry Optimization and Conformational Search
2.1 Introduction2.2 Evolutionary Algorithms; 2.2.1 Diversity; 2.2.2 Creation of New Solutions; 2.2.3 Constraint Satisfaction; 2.3 Technical Aspects of Method Comparisons; 2.4 Traditional Methods for Structure Optimization; 2.5 Evolutionary Methods for Structure Optimization; 2.5.1 Satisfying Constraints from Experiments; 2.5.2 Energy Minimization; 2.6 Discussion; 2.7 Conclusions; 3 Protein-Ligand Docking; 3.1 Molecular Structure and Medicine; 3.2 Computational Protein-Ligand Docking; 3.2.1 Scoring Functions; 3.2.2 Level of Allowed Molecular Flexibility 3.2.3 Testing and Evaluating Docking Methods3.3 Evolutionary Algorithms for Protein-Ligand Docking; 3.4 Published Methods; 3.5 Representation of the Genome; 3.6 Hybrid Evolutionary Algorithms; 3.7 Conclusions; 4 De Now Molecular Design; 4.1 Introduction; 4.2 Overview of a Genetic Algorithm; 4.3 Defining the Constraints; 4.4 Applications of EAs to De Novo Design; 4.5 Applications of EAs to Pharmacophore Mapping; 4.6 Applications of EAs to Receptor Modeling; 4.7 Discussion; 4.8 Conclusions; 5 Quantitative Structure- Activity Relationships; 5.1 Introduction; 5.2 Key Tasks in QSAR Development 5.2.1 Descriptor Tabulation5.2.2 Feature Selection; 5.2.3 Model Construction; 5.2.4 Model Validation; 5.3 Availability of GA Programs; 5.4 Applications of GAs in QSAR; 5.4.1 GA-MLR Approach; 5.4.2 GA-PLS; 5.4.3 GA-NN; 5.4.4 Chance Correlation; 5.5 Discussion; 6 Chemometrics; 6.1 Introduction; 6.2 Parameter Estimation; 6.2.1 Curve Fitting; 6.2.2 Nonlinear Modeling; 6.2.3 Neural Networks; 6.3 Subset Selection; 6.3.1 Feature Selection; 6.3.2 Object Selection; 6.4 Miscellaneous; 6.4.1 Clustering and Classification; 6.5 Discussion; 7 Chemical Structure Handling; 7.1 Introduction 7.2 Representation and Searching of Chemical Structures7.3 Processing of 2-D Chemical Graphs; 7.4 Processing of 3-D Chemical Graphs; 7.4.1 Flexible 3-D Substructure Searching; 7.4.2 Identification of Common Structural Features in Sets of Ligands; 7.5 Field-Based Similarity Searching; 7.6 Generation of Molecular Alignments; 7.7 Conclusions; 8 Molecular Diversity Analysis and Combmatorial Library Design; 8.1 Introduction; 8.2 The Diversity of Genotypes: The Space of Chemistry; 8.3 The Diversity of Phenotypes: The Property Space; 8.4 Diversity and Distance Calculation 8.5 Connecting the Structure and the Property Space: Evolutionary Algorithms |
| Record Nr. | UNINA-9910829880303321 |
| Weinheim ; ; New York, : Wiley-VCH, c2000 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
| ||
Evolutionary algorithms in molecular design / / edited by David E. Clark
| Evolutionary algorithms in molecular design / / edited by David E. Clark |
| Pubbl/distr/stampa | Weinheim ; ; New York, : Wiley-VCH, c2000 |
| Descrizione fisica | 1 online resource (294 p.) |
| Disciplina | 615/.19 |
| Altri autori (Persone) | ClarkDavid E. <1966-> |
| Collana | Methods and principles in medicinal chemistry |
| Soggetto topico |
Drugs - Design - Mathematical models
Evolutionary computation Evolutionary programming (Computer science) |
| ISBN |
1-283-37033-6
9786613370334 3-527-61316-1 3-527-61317-X |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto |
Evolutionary Algorithms in Molecular Design; Contents; 1 Introduction to Evolutionary Algorithms; 1.1 History and Biological Motivation; 1.2 Descriptive Comparison of Algorithms; 1.2.1 Representation; 1.2.2 Evolotionary Operators; 1.2.3 Selection and the Next Generation; 1.2.4 Self-Adaptation and Learning-Rule Methods; 1.3 Implementation Issues and Representative Applications of EAs in Drug Design; 1.3.1 Problem-Adapted EA Features; 1.3.2 Problem Suitability for EA Implementation; 1.3.3 EA Combination Methods; 1.4 Conclusions; 2 Small-molecule Geometry Optimization and Conformational Search
2.1 Introduction2.2 Evolutionary Algorithms; 2.2.1 Diversity; 2.2.2 Creation of New Solutions; 2.2.3 Constraint Satisfaction; 2.3 Technical Aspects of Method Comparisons; 2.4 Traditional Methods for Structure Optimization; 2.5 Evolutionary Methods for Structure Optimization; 2.5.1 Satisfying Constraints from Experiments; 2.5.2 Energy Minimization; 2.6 Discussion; 2.7 Conclusions; 3 Protein-Ligand Docking; 3.1 Molecular Structure and Medicine; 3.2 Computational Protein-Ligand Docking; 3.2.1 Scoring Functions; 3.2.2 Level of Allowed Molecular Flexibility 3.2.3 Testing and Evaluating Docking Methods3.3 Evolutionary Algorithms for Protein-Ligand Docking; 3.4 Published Methods; 3.5 Representation of the Genome; 3.6 Hybrid Evolutionary Algorithms; 3.7 Conclusions; 4 De Now Molecular Design; 4.1 Introduction; 4.2 Overview of a Genetic Algorithm; 4.3 Defining the Constraints; 4.4 Applications of EAs to De Novo Design; 4.5 Applications of EAs to Pharmacophore Mapping; 4.6 Applications of EAs to Receptor Modeling; 4.7 Discussion; 4.8 Conclusions; 5 Quantitative Structure- Activity Relationships; 5.1 Introduction; 5.2 Key Tasks in QSAR Development 5.2.1 Descriptor Tabulation5.2.2 Feature Selection; 5.2.3 Model Construction; 5.2.4 Model Validation; 5.3 Availability of GA Programs; 5.4 Applications of GAs in QSAR; 5.4.1 GA-MLR Approach; 5.4.2 GA-PLS; 5.4.3 GA-NN; 5.4.4 Chance Correlation; 5.5 Discussion; 6 Chemometrics; 6.1 Introduction; 6.2 Parameter Estimation; 6.2.1 Curve Fitting; 6.2.2 Nonlinear Modeling; 6.2.3 Neural Networks; 6.3 Subset Selection; 6.3.1 Feature Selection; 6.3.2 Object Selection; 6.4 Miscellaneous; 6.4.1 Clustering and Classification; 6.5 Discussion; 7 Chemical Structure Handling; 7.1 Introduction 7.2 Representation and Searching of Chemical Structures7.3 Processing of 2-D Chemical Graphs; 7.4 Processing of 3-D Chemical Graphs; 7.4.1 Flexible 3-D Substructure Searching; 7.4.2 Identification of Common Structural Features in Sets of Ligands; 7.5 Field-Based Similarity Searching; 7.6 Generation of Molecular Alignments; 7.7 Conclusions; 8 Molecular Diversity Analysis and Combmatorial Library Design; 8.1 Introduction; 8.2 The Diversity of Genotypes: The Space of Chemistry; 8.3 The Diversity of Phenotypes: The Property Space; 8.4 Diversity and Distance Calculation 8.5 Connecting the Structure and the Property Space: Evolutionary Algorithms |
| Record Nr. | UNINA-9910876670803321 |
| Weinheim ; ; New York, : Wiley-VCH, c2000 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
| ||
A mathematical approach to multilevel, multiscale health interventions [[electronic resource] ] : pharmaceutical industry decline and policy response / / Rodrick Wallace, Deborah Wallace
| A mathematical approach to multilevel, multiscale health interventions [[electronic resource] ] : pharmaceutical industry decline and policy response / / Rodrick Wallace, Deborah Wallace |
| Autore | Wallace Rodrick |
| Pubbl/distr/stampa | London, : Imperial College Press, 2013 |
| Descrizione fisica | 1 online resource (238 p.) |
| Disciplina | 615.5/80151 |
| Altri autori (Persone) | WallaceDeborah |
| Soggetto topico |
Drug development
Drugs - Research Drugs - Design - Mathematical models Medical geography |
| Soggetto genere / forma | Electronic books. |
| ISBN |
1-299-46216-2
1-84816-997-3 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto |
Preface; Contents; 1. BEYOND MAGIC BULLETS; 1.1 The Pharmaceutical Catastrophe; 1.2 A New Perspective; 1.3 Cognition as `Language'; 1.4 The Human Cognome; 2. EXPANDING THE THEORY; 2.1 No Free Lunch; 2.2 Multiple Broadcasts, Punctuated Detection; 2.3 Metabolic Constraints; 2.4 Environmental Signals; 3. DYNAMIC `REGRESSION' MODELS; 3.1 The Simplest Approach; 3.2 A Rate Distortion Reformulation; 3.3 Multiple Time Scales; 3.4 Incoming Information; 3.5 Pathologies; 3.6 Refining the Model; 4. AN EVOLUTIONARY EXCURSION; 4.1 Introduction; 4.2 Ecosystems as Information Sources; 4.3 Genetic Heritage
4.4 Gene Expression4.5 Interacting Information Sources; 4.6 Conclusions; 5. EXAMPLE: MENTAL DISORDERS; 5.1 Introduction; 5.2 Two Classes; 5.3 Global Broadcast Models; 5.4 Gene Expression; 5.5 Summary; 6. EXAMPLE: PROTEIN FOLDING; 6.1 Introduction; 6.2 Spontaneous Symmetry Breaking; 6.3 A Formal Approach; 6.4 The Energy Picture; 6.5 The Developmental Picture; 6.6 A Comprehensive Treatment; 6.7 Aging and Protein Folding; 6.8 Summary; 7. EXAMPLE: GLYCOME DETERMINANTS; 7.1 Introduction; 7.2 Stochastic Topology; 7.3 The Glycomic Conundrum; 7.4 Another Cognitive Paradigm 7.5 Regulating Glycan Determinants7.6 Glycan Spectra; 7.7 Summary; 8. EXAMPLE: GLYCAN/LECTIN LOGIC GATES; 8.1 Introduction; 8.2 The Critical Exponent; 8.3 Two Examples; 8.4 Information Catalysis; 8.5 A Tiling Symmetry Model; 8.6 Summary; 9. EXAMPLE: IDP LOGIC GATES; 9.1 Introduction; 9.2 Symbolic Dynamics of Molecular Switching; 9.3 Another Dual Information Source; 9.4 Information Catalysis; 9.5 Summary; 10. TREATMENT; 10.1 The Generalized Retina; 10.2 Therapeutic Efficacy; 10.3 Psychosocial Stress; 10.4 Flight, Fight, and Helplessness; 10.5 Institutions as Niche Construction 10.6 The Hall of Mirrors10.7 Side Effects Reconsidered; 11. HISTORY AND HEALTH; 11.1 Malaria and the Fulani; 11.2 The American Catastrophe; 12. BEYOND GLASPERLENSPIEL; 13. MATHEMATICAL APPENDIX; 13.1 The Tuning Theorem; 13.2 The Rate Distortion Theorem; 13.3 Stochastic Differential Equations; 13.4 Morse Theory; 13.5 Groupoids; 13.6 `Biological' Renormalization; 13.7 Large Deviations; Bibliography; Index |
| Record Nr. | UNINA-9910452303303321 |
|
Wallace Rodrick
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| London, : Imperial College Press, 2013 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
| ||
A mathematical approach to multilevel, multiscale health interventions : pharmaceutical industry decline and policy response / / Rodrick Wallace, Deborah Wallace, Columbia University, USA
| A mathematical approach to multilevel, multiscale health interventions : pharmaceutical industry decline and policy response / / Rodrick Wallace, Deborah Wallace, Columbia University, USA |
| Autore | Wallace Rodrick |
| Pubbl/distr/stampa | London, : Imperial College Press, 2013 |
| Descrizione fisica | 1 online resource (xi, 225 pages) |
| Disciplina | 615.5/80151 |
| Collana | Gale eBooks |
| Soggetto topico |
Drug development
Drugs - Research Drugs - Design - Mathematical models Medical geography |
| ISBN |
1-299-46216-2
1-84816-997-3 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto |
Preface; Contents; 1. BEYOND MAGIC BULLETS; 1.1 The Pharmaceutical Catastrophe; 1.2 A New Perspective; 1.3 Cognition as `Language'; 1.4 The Human Cognome; 2. EXPANDING THE THEORY; 2.1 No Free Lunch; 2.2 Multiple Broadcasts, Punctuated Detection; 2.3 Metabolic Constraints; 2.4 Environmental Signals; 3. DYNAMIC `REGRESSION' MODELS; 3.1 The Simplest Approach; 3.2 A Rate Distortion Reformulation; 3.3 Multiple Time Scales; 3.4 Incoming Information; 3.5 Pathologies; 3.6 Refining the Model; 4. AN EVOLUTIONARY EXCURSION; 4.1 Introduction; 4.2 Ecosystems as Information Sources; 4.3 Genetic Heritage
4.4 Gene Expression4.5 Interacting Information Sources; 4.6 Conclusions; 5. EXAMPLE: MENTAL DISORDERS; 5.1 Introduction; 5.2 Two Classes; 5.3 Global Broadcast Models; 5.4 Gene Expression; 5.5 Summary; 6. EXAMPLE: PROTEIN FOLDING; 6.1 Introduction; 6.2 Spontaneous Symmetry Breaking; 6.3 A Formal Approach; 6.4 The Energy Picture; 6.5 The Developmental Picture; 6.6 A Comprehensive Treatment; 6.7 Aging and Protein Folding; 6.8 Summary; 7. EXAMPLE: GLYCOME DETERMINANTS; 7.1 Introduction; 7.2 Stochastic Topology; 7.3 The Glycomic Conundrum; 7.4 Another Cognitive Paradigm 7.5 Regulating Glycan Determinants7.6 Glycan Spectra; 7.7 Summary; 8. EXAMPLE: GLYCAN/LECTIN LOGIC GATES; 8.1 Introduction; 8.2 The Critical Exponent; 8.3 Two Examples; 8.4 Information Catalysis; 8.5 A Tiling Symmetry Model; 8.6 Summary; 9. EXAMPLE: IDP LOGIC GATES; 9.1 Introduction; 9.2 Symbolic Dynamics of Molecular Switching; 9.3 Another Dual Information Source; 9.4 Information Catalysis; 9.5 Summary; 10. TREATMENT; 10.1 The Generalized Retina; 10.2 Therapeutic Efficacy; 10.3 Psychosocial Stress; 10.4 Flight, Fight, and Helplessness; 10.5 Institutions as Niche Construction 10.6 The Hall of Mirrors10.7 Side Effects Reconsidered; 11. HISTORY AND HEALTH; 11.1 Malaria and the Fulani; 11.2 The American Catastrophe; 12. BEYOND GLASPERLENSPIEL; 13. MATHEMATICAL APPENDIX; 13.1 The Tuning Theorem; 13.2 The Rate Distortion Theorem; 13.3 Stochastic Differential Equations; 13.4 Morse Theory; 13.5 Groupoids; 13.6 `Biological' Renormalization; 13.7 Large Deviations; Bibliography; Index |
| Record Nr. | UNINA-9910779690703321 |
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Wallace Rodrick
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| London, : Imperial College Press, 2013 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
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