LEADER 05025nam 2200613Ia 450 001 9910139470903321 005 20170810183228.0 010 $a1-282-46291-1 010 $a9786612462917 010 $a3-527-62921-1 010 $a3-527-62922-X 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(EXLCZ)992550000000006858 100 $a20090821d2010 uy 0 101 0 $aeng 135 $aur|n|---||||| 181 $ctxt 182 $cc 183 $acr 200 00$aQuantum Biochemistry$b[electronic resource] /$fedited by Che?rif 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 $a3-527-32322-8 320 $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 Che?rif F$0597254 801 0$bMiAaPQ 801 1$bMiAaPQ 801 2$bMiAaPQ 906 $aBOOK 912 $a9910139470903321 996 $aQuantum Biochemistry$91911263 997 $aUNINA LEADER 02343nam 22004453 450 001 9910136114703321 005 20260201090429.0 010 $a0-8254-8513-4 035 $a(CKB)3710000000914999 035 $a(BIP)044306241 035 $a(VLeBooks)9780825485138 035 $a(Exl-AI)993710000000914999 035 $a(MiAaPQ)EBC32386444 035 $a(Au-PeEL)EBL32386444 035 $a(EXLCZ)993710000000914999 100 $a20260201d2013 uy 0 101 0 $aspa 135 $aurcnu|||||||| 181 $ctxt$2rdacontent 182 $cc$2rdamedia 183 $acr$2rdacarrier 200 10$aSantiago 205 $a1st ed. 210 1$aGRAND RAPIDS :$cKregel Publications,$d2013. 210 4$dİ2013. 215 $a1 online resource (160 p.) 311 08$a0-8254-1369-9 330 8 $aC mo puedes desarrollar una fe que permanezca firme cuando las circunstancias cotidianas te desaniman? D nde puedes obtener la sabidur a necesaria para tomar las decisiones correctas en la vida? El libro de Santiago nos ofrece respuestas alentadoras a estas y muchas otras preguntas. De hecho, Santiago ofrece consejos muy pr cticos para los asuntos m s apremiantes que afectan a diario a las mujeres cristianas. En este estudio aprender s a: - Orar pidiendo lo que conviene - Perseverar en medio de las dificultades de la vida - Revestirte de paciencia - Planear tu futuro teniendo en cuenta a DiosWhere can women get the wisdom that will help them make the right choices in the many decisions of life? How can they develop a faith that won't waver or crumble when they're overwhelmed by life's trials and temptations? The book of James answers these questions and more, and provides practical guidance on many issues that affect Christian women daily, such as: - persevering through life's troubles - putting on a heart of patience - planning the future with God in mind An encouraging resource for women who yearn to experience real spiritual growth 606 $aChristian women$xReligious life$7Generated by AI 606 $aFaith$7Generated by AI 615 0$aChristian women$xReligious life 615 0$aFaith 700 $aGeorge$b Elizabeth$0744853 801 0$bMiAaPQ 801 1$bMiAaPQ 801 2$bMiAaPQ 906 $aBOOK 912 $a9910136114703321 996 $aSantiago$94531911 997 $aUNINA