LEADER 05597nam 2200721Ia 450 001 9910453549603321 005 20200520144314.0 010 $a1-281-90896-7 010 $a9786611908966 010 $a981-270-713-1 035 $a(CKB)1000000000552299 035 $a(EBL)1214939 035 $a(SSID)ssj0000292367 035 $a(PQKBManifestationID)12068780 035 $a(PQKBTitleCode)TC0000292367 035 $a(PQKBWorkID)10268886 035 $a(PQKB)10443975 035 $a(MiAaPQ)EBC1214939 035 $a(WSP)00005998 035 $a(Au-PeEL)EBL1214939 035 $a(CaPaEBR)ebr10698812 035 $a(CaONFJC)MIL190896 035 $a(OCoLC)854973185 035 $a(EXLCZ)991000000000552299 100 $a20060911d2006 uy 0 101 0 $aeng 135 $aurcn||||||||| 181 $ctxt 182 $cc 183 $acr 200 10$aComputer simulation of shaped charge problems$b[electronic resource] /$fWen Ho Lee 210 $aSingapore ;$aHackensack, NJ $cWorld Scientific$dc2006 215 $a1 online resource (220 p.) 300 $aDescription based upon print version of record. 311 $a981-256-623-6 320 $aIncludes bibliographical references and indexes. 327 $aContents; 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 327 $a4. 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 327 $a6. 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 327 $a3. 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 327 $a5.4. Application of PSSC for de novo ligand development for the protein cluster Cdc25A phosphataseacetylcholinesterase-11?-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 327 $a7. Library Design Using Thematic AnalysisTM 330 $aDevoted to the subject of shape charge design using numerical methods, this book offers the defense and commercial industries unique material not contained in any other single volume. The coverage of the Lagrangian and Eulerian methods as well as the equation of state provides first hand help to engineers working on shape charge problems.The book includes detailed descriptions of oil-well perforation not available from any other sources and, coupled with the material flow physics discussed in Chapters 2 and 3 and Appendix B, readers can design the fuel rod configurations for a nuclear reactor 606 $aShaped charges$xComputer simulation 606 $aShaped charges$xMathematical models 606 $aFlow visualization$xComputer simulation 606 $aPenetration mechanics$xComputer simulation 606 $aLagrange equations 608 $aElectronic books. 615 0$aShaped charges$xComputer simulation. 615 0$aShaped charges$xMathematical models. 615 0$aFlow visualization$xComputer simulation. 615 0$aPenetration mechanics$xComputer simulation. 615 0$aLagrange equations. 676 $a623.4/545 700 $aLee$b Wen Ho$0948126 801 0$bMiAaPQ 801 1$bMiAaPQ 801 2$bMiAaPQ 906 $aBOOK 912 $a9910453549603321 996 $aComputer simulation of shaped charge problems$92143102 997 $aUNINA