LEADER 05136nam 2200673Ia 450 001 9911019309903321 005 20200520144314.0 010 $a9786612462917 010 $a9781282462915 010 $a1282462911 010 $a9783527629213 010 $a3527629211 010 $a9783527629220 010 $a352762922X 035 $a(CKB)2550000000006858 035 $a(EBL)481264 035 $a(OCoLC)536379926 035 $a(SSID)ssj0000364935 035 $a(PQKBManifestationID)11290346 035 $a(PQKBTitleCode)TC0000364935 035 $a(PQKBWorkID)10419483 035 $a(PQKB)11070780 035 $a(MiAaPQ)EBC481264 035 $a(PPN)184681332 035 $a(Perlego)2766910 035 $a(EXLCZ)992550000000006858 100 $a20090821d2010 uy 0 101 0 $aeng 135 $aur|n|---||||| 181 $ctxt 182 $cc 183 $acr 200 00$aQuantum Biochemistry /$fedited by Cherif F. Matta 210 $aWeinheim $cWiley-VCH Verlag GmbH & Co.$d2010 215 $a1 online resource (980 p.) 300 $aDescription based upon print version of record. 311 08$a9783527323227 311 08$a3527323228 320 $aIncludes bibliographical references and index. 327 $aQuantum Biochemistry; Acknowledgment; Congratulations to Professor Ada Yonath for Winning the 2009 Nobel Prize in Chemistry; Introductory Reflections on Quantum Biochemistry: From Context to Contents; Contents; List of Contributors; Part One Novel Theoretical, Computational, and Experimental Methods and Techniques; 1 Quantum Kernels and Quantum Crystallography: Applications in Biochemistry; 1.1 Introduction; 1.2 Origins of Quantum Crystallography (QCr); 1.2.1 General Problem of N-Representability; 1.2.2 Single Determinant N-Representability; 1.2.3 Example Applications of Clinton.s Equations 327 $a1.2.3.1 Beryllium1.2.3.2 Maleic Anhydride; 1.3 Beginnings of Quantum Kernels; 1.3.1 Computational Difficulty of Large Molecules; 1.3.2 Quantum Kernel Formalism; 1.3.3 Kernel Matrices: Example and Results; 1.3.4 Applications of the Idea of Kernels; 1.3.4.1 Hydrated Hexapeptide Molecule; 1.3.4.2 Hydrated Leu1-Zervamicin; 1.4 Kernel Density Matrices Led to Kernel Energies; 1.4.1 KEM Applied to Peptides; 1.4.2 Quantum Models within KEM; 1.4.2.1 Calculations and Results Using Different Basis Functions for the ADPGV7b Molecule 327 $a1.4.2.2 Calculations and Results Using Different Quantum Methods for the Zaib4 Molecule1.4.2.3 Comments Regarding KEM; 1.4.3 KEM Applied to Insulin; 1.4.3.1 KEM Calculation Results; 1.4.3.2 Comments Regarding the Insulin Calculations; 1.4.4 KEM Applied to DNA; 1.4.4.1 KEM Calculation Results; 1.4.4.2 Comments Regarding the DNA Calculations; 1.4.5 KEM Applied to tRNA; 1.4.6 KEM Applied to Rational Design of Drugs; 1.4.6.1 Importance of the Interaction Energy for Rational Drug Design 327 $a1.4.6.2 Sample Calculation: Antibiotic Drug in Complex (1O9M) with a Model Aminoacyl Site of the 30s Ribosomal Subunit1.4.6.3 Comments Regarding the Drug-Target Interaction Calculations; 1.4.7 KEM Applied to Collagen; 1.4.7.1 Interaction Energies; 1.4.7.2 Collagen 1A89; 1.4.7.3 Comments Regarding the Collagen Calculations; 1.4.8 KEM Fourth-Order Calculation of Accuracy; 1.4.8.1 Molecular Energy as a Sum over Kernel Energies; 1.4.8.2 Application to Leu1-zervamicin of the Fourth-Order Approximation of KEM; 1.4.9 KEM Applied to Vesicular Stomatitis Virus Nucleoprotein, 33 000 Atom Molecule 327 $a1.4.9.1 Vesicular Stomatitis Virus Nucleoprotein (2QVJ) Molecule1.4.9.2 Hydrogen Bond Calculations; 1.4.9.3 Comments regarding the 2QVJ Calculations; 1.5 Summary and Conclusions; References; 2 Getting the Most out of ONIOM: Guidelines and Pitfalls; 2.1 Introduction; 2.2 QM/MM; 2.3 ONIOM; 2.4 Guidelines for the Application of ONIOM; 2.4.1 Summary; 2.5 The Cancellation Problem; 2.6 Use of Point Charges; 2.7 Conclusions; References; 3 Modeling Enzymatic Reactions in Metalloenzymes and Photobiology by Quantum Mechanics (QM) and Quantum Mechanics/Molecular Mechanics (QM/MM) Calculations 327 $a3.1 Introduction 330 $aDivided into five major parts, the two volumes of this ready reference cover the tailoring of theoretical methods for biochemical computations, as well as the many kinds of biomolecules, reaction and transition state elucidation, conformational flexibility determination, and drug design. Throughout, the chapters gradually build up from introductory level to comprehensive reviews of the latest research, and include all important compound classes, such as DNA, RNA, enzymes, vitamins, and heterocyclic compounds.The result is in-depth and vital knowledge for both readers already working in the 606 $aQuantum biochemistry 606 $aBiochemistry 615 0$aQuantum biochemistry. 615 0$aBiochemistry. 676 $a572 701 $aMatta$b Cherif F$0597254 801 0$bMiAaPQ 801 1$bMiAaPQ 801 2$bMiAaPQ 906 $aBOOK 912 $a9911019309903321 996 $aQuantum Biochemistry$94416607 997 $aUNINA LEADER 03127nam 2200697Ia 450 001 9910969902003321 005 20251117091820.0 010 $a1-317-32364-5 010 $a1-315-65596-9 010 $a1-317-32365-3 010 $a1-283-14024-1 010 $a9786613140241 010 $a1-84893-059-3 024 7 $a10.4324/9781315655963 035 $a(CKB)2550000000037190 035 $a(EBL)728431 035 $a(OCoLC)735623482 035 $a(SSID)ssj0000521343 035 $a(PQKBManifestationID)11337245 035 $a(PQKBTitleCode)TC0000521343 035 $a(PQKBWorkID)10523235 035 $a(PQKB)10621656 035 $a(MiAaPQ)EBC2126783 035 $a(MiAaPQ)EBC4015304 035 $a(MiAaPQ)EBC728431 035 $a(MiAaPQ)EBC1510895 035 $a(OCoLC)958106352 035 $a(Au-PeEL)EBL728431 035 $a(UkCbUP)CR9781848930599 035 $a(EXLCZ)992550000000037190 100 $a20110705d2011 uy 0 101 0 $aeng 135 $aur||||||||||| 181 $ctxt$2rdacontent 182 $cc$2rdamedia 183 $acr$2rdacarrier 200 10$aCamille Gutt and postwar international finance /$fby Jean F. Crombois 205 $a1st ed. 210 $aLondon $cPickering & Chatto Publishers$d2011 215 $a1 online resource (xi, 192 pages) $cdigital, PDF file(s) 225 0 $aFinancial history 300 $aTitle from publisher's bibliographic system (viewed on 02 Oct 2015). 311 08$a1-84893-058-5 320 $aInclude bibliographical references and index. 327 $aAcknowledgements; List of Tables; Introduction; 1. Camille Gutt, Finance and Politics; 2. Belgian War Financial Diplomacy; 3. Financial Diplomacy in London during the Second World War; 4. Extending the Benelux Agreements; 5. The Birth of a Monetary System; 6. Camille Gutt, First Managing Director of the International Monetary Fund; Conclusion; Glossary of Names; Notes; Works Cited; Index 330 $aAs a businessman, financier, diplomat, minister and the first managing director of the International Monetary Fund, Camille Gutt (1884-1971) was involved in all the important financial negotiations that took place between the 1920s and the 1950s. Crombois uses Gutt's personal archives to examine the rise and fall of financial diplomacy as a largely private enterprise. He looks at how financial diplomacy and official diplomacy differed, and confronts the confusion between private and public interests, the high level of informality in the financial sector and the growth of postwar self-identification with national interests. 410 0$aFinancial history (London, England) ;$vno. 18. 606 $aFinance ministers$zBelgium$vBiography 606 $aFinance, Public$zBelgium 615 0$aFinance ministers 615 0$aFinance, Public 676 $a337.09044 676 $a337.09044 700 $aCrombois$b Jean-Francois$01875939 801 0$bMiAaPQ 801 1$bMiAaPQ 801 2$bMiAaPQ 906 $aBOOK 912 $a9910969902003321 996 $aCamille Gutt and postwar international finance$94487272 997 $aUNINA