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Computer simulation of shaped charge problems [[electronic resource] /] / Wen Ho Lee
| Computer simulation of shaped charge problems [[electronic resource] /] / Wen Ho Lee |
| Autore | Lee Wen Ho |
| Pubbl/distr/stampa | Singapore ; ; Hackensack, NJ, : World Scientific, c2006 |
| Descrizione fisica | 1 online resource (220 p.) |
| Disciplina | 623.4/545 |
| Soggetto topico |
Shaped charges - Computer simulation
Shaped charges - Mathematical models Flow visualization - Computer simulation Penetration mechanics - Computer simulation Lagrange equations |
| Soggetto genere / forma | Electronic books. |
| ISBN |
1-281-90896-7
9786611908966 981-270-713-1 |
| Formato | Materiale a stampa  |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto |
Contents; A Personal Introduction; Chapter 1 Small Molecules for Chemogenomics-based Drug Discovery Edgar Jacoby, Ansgar Schuffenhauer, Kamal Azzaoui, Maxim Popov, Sigmar Dressler, Meir Glick, Jeremy Jenkins, John Davies and Silvio Roggo; 1. Introduction; 2. Compound Categories; 2.1. Natural products and derivatives; 2.2. Primary metabolites, co-substrates, co-factors, and marketed drugs; 2.3. Peptides and peptido-mimetics; 2.4. Diversity oriented synthesis molecules; 3. Designing Comprehensive Chemogenomics Screening Compound Collections
4. Essential Properties and Selection Processes along the Discovery Pipeline5. Molecular Information Systems and Annotated Compound Libraries; 6. Conclusion; Acknowledgements; References; Chapter 2 Mapping the Chemogenomic Space Jordi Mestres; 1. The Chemogenomic Space; 2. Annotation and Classification Schemes for Proteins; 2.1. Enzymes; 2.2. Receptors; 2.2.1. Channel receptors; 2.2.2. G Protein-coupled receptors; 2.2.3. Nuclear receptors; 3. Structural Representativity of Protein Families; 4. Annotation and Classification Schemes for Molecules; 5. Mapping the Molecule-Protein Space 6. Exploiting the Chemogenomic Space 7. Conclusions; References; Chapter 3 Natural Product Scaffolds and Protein Structure Similarity Clustering (PSSC) as Inspiration Sources for Compound Library Design in Chemogenomics and Drug Development Frank J. Dekker, Stefan Wetzel and Herbert Waldmann; 1. Introduction; 2. Biological Relevance in Compound Library Design; 2.1. Compound libraries as sources for small molecule modulators of protein function; 2.2. Annotated libraries; 2.3. Natural products as inspiration sources for library design; 2.4. Library design based on privileged structures 3. Natural Product Inspired Compound Library Synthesis 4. Target Clustering as Strategy in Drug Discovery; 4.1. Target clustering; 4.2. Target clustering based on structural and functional similarity; 5. PSSC as Guiding Principle for Compound Library Design; 5.1. Protein structure similarity clustering (PSSC); 5.2. PSSC based reanalysis of the development of leukotriene A4 hydrolase inhibitors; 5.3. PSSC based reanalysis of the development of nuclear hormone receptor ligands 5.4. Application of PSSC for de novo ligand development for the protein cluster Cdc25A phosphataseacetylcholinesterase-11β-hydroxysteroid dehydrogenase5.5. Position of the PSSC concept in drug development and chemogenomics; 6. Conclusions; Acknowledgments; References; Chapter 4 A Reductionist Approach to Chemogenomics in the Design of Drug Molecules and Focused Libraries Roger Crossley and Martin Slater; 1. Introduction; 2. Molecular Recognition and Vicinity AnalysisTM; 3. Thematic AnalysisTM; Examples of Themes; 4. Family B and C GPCRs; 5. Classification of GPCRs; 6. Pharmacophore Maps 7. Library Design Using Thematic AnalysisTM |
| Record Nr. | UNINA-9910453549603321 |
Lee Wen Ho
|
||
| Singapore ; ; Hackensack, NJ, : World Scientific, c2006 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
| ||
Computer simulation of shaped charge problems [[electronic resource] /] / Wen Ho Lee
| Computer simulation of shaped charge problems [[electronic resource] /] / Wen Ho Lee |
| Autore | Lee Wen Ho |
| Pubbl/distr/stampa | Singapore ; ; Hackensack, NJ, : World Scientific, c2006 |
| Descrizione fisica | 1 online resource (220 p.) |
| Disciplina | 623.4/545 |
| Soggetto topico |
Shaped charges - Computer simulation
Shaped charges - Mathematical models Flow visualization - Computer simulation Penetration mechanics - Computer simulation Lagrange equations |
| ISBN |
1-281-90896-7
9786611908966 981-270-713-1 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto |
Contents; A Personal Introduction; Chapter 1 Small Molecules for Chemogenomics-based Drug Discovery Edgar Jacoby, Ansgar Schuffenhauer, Kamal Azzaoui, Maxim Popov, Sigmar Dressler, Meir Glick, Jeremy Jenkins, John Davies and Silvio Roggo; 1. Introduction; 2. Compound Categories; 2.1. Natural products and derivatives; 2.2. Primary metabolites, co-substrates, co-factors, and marketed drugs; 2.3. Peptides and peptido-mimetics; 2.4. Diversity oriented synthesis molecules; 3. Designing Comprehensive Chemogenomics Screening Compound Collections
4. Essential Properties and Selection Processes along the Discovery Pipeline5. Molecular Information Systems and Annotated Compound Libraries; 6. Conclusion; Acknowledgements; References; Chapter 2 Mapping the Chemogenomic Space Jordi Mestres; 1. The Chemogenomic Space; 2. Annotation and Classification Schemes for Proteins; 2.1. Enzymes; 2.2. Receptors; 2.2.1. Channel receptors; 2.2.2. G Protein-coupled receptors; 2.2.3. Nuclear receptors; 3. Structural Representativity of Protein Families; 4. Annotation and Classification Schemes for Molecules; 5. Mapping the Molecule-Protein Space 6. Exploiting the Chemogenomic Space 7. Conclusions; References; Chapter 3 Natural Product Scaffolds and Protein Structure Similarity Clustering (PSSC) as Inspiration Sources for Compound Library Design in Chemogenomics and Drug Development Frank J. Dekker, Stefan Wetzel and Herbert Waldmann; 1. Introduction; 2. Biological Relevance in Compound Library Design; 2.1. Compound libraries as sources for small molecule modulators of protein function; 2.2. Annotated libraries; 2.3. Natural products as inspiration sources for library design; 2.4. Library design based on privileged structures 3. Natural Product Inspired Compound Library Synthesis 4. Target Clustering as Strategy in Drug Discovery; 4.1. Target clustering; 4.2. Target clustering based on structural and functional similarity; 5. PSSC as Guiding Principle for Compound Library Design; 5.1. Protein structure similarity clustering (PSSC); 5.2. PSSC based reanalysis of the development of leukotriene A4 hydrolase inhibitors; 5.3. PSSC based reanalysis of the development of nuclear hormone receptor ligands 5.4. Application of PSSC for de novo ligand development for the protein cluster Cdc25A phosphataseacetylcholinesterase-11β-hydroxysteroid dehydrogenase5.5. Position of the PSSC concept in drug development and chemogenomics; 6. Conclusions; Acknowledgments; References; Chapter 4 A Reductionist Approach to Chemogenomics in the Design of Drug Molecules and Focused Libraries Roger Crossley and Martin Slater; 1. Introduction; 2. Molecular Recognition and Vicinity AnalysisTM; 3. Thematic AnalysisTM; Examples of Themes; 4. Family B and C GPCRs; 5. Classification of GPCRs; 6. Pharmacophore Maps 7. Library Design Using Thematic AnalysisTM |
| Record Nr. | UNINA-9910782320303321 |
|
Lee Wen Ho
|
||
| Singapore ; ; Hackensack, NJ, : World Scientific, c2006 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
| ||
Computer simulation of shaped charge problems [[electronic resource] /] / Wen Ho Lee
| Computer simulation of shaped charge problems [[electronic resource] /] / Wen Ho Lee |
| Autore | Lee Wen Ho |
| Pubbl/distr/stampa | Singapore ; ; Hackensack, NJ, : World Scientific, c2006 |
| Descrizione fisica | 1 online resource (220 p.) |
| Disciplina | 623.4/545 |
| Soggetto topico |
Shaped charges - Computer simulation
Shaped charges - Mathematical models Flow visualization - Computer simulation Penetration mechanics - Computer simulation Lagrange equations |
| ISBN |
1-281-90896-7
9786611908966 981-270-713-1 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto |
Contents; A Personal Introduction; Chapter 1 Small Molecules for Chemogenomics-based Drug Discovery Edgar Jacoby, Ansgar Schuffenhauer, Kamal Azzaoui, Maxim Popov, Sigmar Dressler, Meir Glick, Jeremy Jenkins, John Davies and Silvio Roggo; 1. Introduction; 2. Compound Categories; 2.1. Natural products and derivatives; 2.2. Primary metabolites, co-substrates, co-factors, and marketed drugs; 2.3. Peptides and peptido-mimetics; 2.4. Diversity oriented synthesis molecules; 3. Designing Comprehensive Chemogenomics Screening Compound Collections
4. Essential Properties and Selection Processes along the Discovery Pipeline5. Molecular Information Systems and Annotated Compound Libraries; 6. Conclusion; Acknowledgements; References; Chapter 2 Mapping the Chemogenomic Space Jordi Mestres; 1. The Chemogenomic Space; 2. Annotation and Classification Schemes for Proteins; 2.1. Enzymes; 2.2. Receptors; 2.2.1. Channel receptors; 2.2.2. G Protein-coupled receptors; 2.2.3. Nuclear receptors; 3. Structural Representativity of Protein Families; 4. Annotation and Classification Schemes for Molecules; 5. Mapping the Molecule-Protein Space 6. Exploiting the Chemogenomic Space 7. Conclusions; References; Chapter 3 Natural Product Scaffolds and Protein Structure Similarity Clustering (PSSC) as Inspiration Sources for Compound Library Design in Chemogenomics and Drug Development Frank J. Dekker, Stefan Wetzel and Herbert Waldmann; 1. Introduction; 2. Biological Relevance in Compound Library Design; 2.1. Compound libraries as sources for small molecule modulators of protein function; 2.2. Annotated libraries; 2.3. Natural products as inspiration sources for library design; 2.4. Library design based on privileged structures 3. Natural Product Inspired Compound Library Synthesis 4. Target Clustering as Strategy in Drug Discovery; 4.1. Target clustering; 4.2. Target clustering based on structural and functional similarity; 5. PSSC as Guiding Principle for Compound Library Design; 5.1. Protein structure similarity clustering (PSSC); 5.2. PSSC based reanalysis of the development of leukotriene A4 hydrolase inhibitors; 5.3. PSSC based reanalysis of the development of nuclear hormone receptor ligands 5.4. Application of PSSC for de novo ligand development for the protein cluster Cdc25A phosphataseacetylcholinesterase-11β-hydroxysteroid dehydrogenase5.5. Position of the PSSC concept in drug development and chemogenomics; 6. Conclusions; Acknowledgments; References; Chapter 4 A Reductionist Approach to Chemogenomics in the Design of Drug Molecules and Focused Libraries Roger Crossley and Martin Slater; 1. Introduction; 2. Molecular Recognition and Vicinity AnalysisTM; 3. Thematic AnalysisTM; Examples of Themes; 4. Family B and C GPCRs; 5. Classification of GPCRs; 6. Pharmacophore Maps 7. Library Design Using Thematic AnalysisTM |
| Record Nr. | UNINA-9910813196703321 |
|
Lee Wen Ho
|
||
| Singapore ; ; Hackensack, NJ, : World Scientific, c2006 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
| ||