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Quantum Biochemistry (2010)
DE NW EBISBN: 9783527629220 bzw. 352762922X, in Deutsch, Wiley-VCH, neu, E-Book.
Lieferung aus: Schweiz, Sofort per Download lieferbar.
Quantum Biochemistry, Übersichtlich in fünf Teilen, tiefgründig und auf aktuellstem Stand bespricht dieses zweibändige Werk alle Aspekte der Quantenbiochemie. Die Autoren beginnen mit einer theoretischen Einführung und leiten den Leser bis zu den neuesten Forschungsergebnissen des Fachgebiets. PDF, 14.01.2010.
Quantum Biochemistry, Übersichtlich in fünf Teilen, tiefgründig und auf aktuellstem Stand bespricht dieses zweibändige Werk alle Aspekte der Quantenbiochemie. Die Autoren beginnen mit einer theoretischen Einführung und leiten den Leser bis zu den neuesten Forschungsergebnissen des Fachgebiets. PDF, 14.01.2010.
2
Symbolbild
Quantum Biochemistry (2010)
DE NW EBISBN: 9783527629220 bzw. 352762922X, in Deutsch, Wiley-VCH, neu, E-Book.
Lieferung aus: Deutschland, Sofort per Download lieferbar.
Quantum Biochemistry Übersichtlich in fünf Teilen, tiefgründig und auf aktuellstem Stand bespricht dieses zweibändige Werk alle Aspekte der Quantenbiochemie. Die Autoren beginnen mit einer theoretischen Einführung und leiten den Leser bis zu den neuesten Forschungsergebnissen des Fachgebiets. 14.01.2010, PDF.
Quantum Biochemistry Übersichtlich in fünf Teilen, tiefgründig und auf aktuellstem Stand bespricht dieses zweibändige Werk alle Aspekte der Quantenbiochemie. Die Autoren beginnen mit einer theoretischen Einführung und leiten den Leser bis zu den neuesten Forschungsergebnissen des Fachgebiets. 14.01.2010, PDF.
3
Quantum Biochemistry (2009)
DE NW EB DLISBN: 9783527629220 bzw. 352762922X, Band: 1, in Deutsch, Wiley-VCH, neu, E-Book, elektronischer Download.
Lieferung aus: Deutschland, Versandkostenfrei.
Quantum Biochemistry: InhaltsangabeAcknowledgment.Congratulations to Professor Ada Yonath for Winning the 2009 Nobel Prize in Chemistry.Introductory Reflections on Quantum Biochemistry: From Context to Contents (Ché rif F. Matta).List of Contributors.Vol I.Part One. Novel Theoretical, Computational, and Experimental Methods and Techniques.1. Quantum Kernels and Quantum Crystallography: Applications in Biochemistry (Lulu Huang, Lou Massa, and Jerome Karle).1.1 Introduction.1.2 Origins of Quantum Crystallography (QCr).1.3 Beginnings of Quantum Kernels.1.4 Kernel Density Matrices Led to Kernel Energies.1.5 Summary and Conclusions.References.2. Getting the Most out of ONIOM: Guidelines and Pitfalls (Fernando R. Clemete, Thom Vreven, and Michael J. Frisch).2.1 Introduction.2.2 QM/MM.2.3 ONIOM.2.4 Guidelines for the Application of ONIOM.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 (Lung Wa Chung, Xin Li, and Keiji Morokuma).3.1 Introduction.3.2 Computational Strategies (Methods and Models).3.3 Metalloenzymes.3.4 Photobiology.3.5 Conclusion.References.4. From Molecular Electrostatic Potentials to Solvation Models and Ending with Biomolecular with Biomolecular Photophysical Processes (Jacopo Tomasi, Chiara Cappelli, Benedetta Mennucci, and Roberto Cammi).4.1 Introduction.4.2 The Molecular Electrostatic Potential and Noncovalent Interactions among Molecules.4.3 Solvation: the “ Continuum Model.” 4.4 Applications of the PCM Method.References.5. The Fast Marching Method for Determining Chemical Reaction Mechanisms in Complex Systems (Yuli Liu, Steven K. Burger, Bijoy K. Dey, Utpal Sarkar, Marek R. Janicki, and Paul W. Ayers).5.1 Motivation.5.2 Background.5.3 Fast Marching Method.5.4 Quantum Mechanics/Molecular Mechanics (QM/MM) Methods Applied to Enzyme-Catalyzed Reactions.5.5 Summary.References.Part Two. Nucleic Acids, Amino Acids, Peptides and Their Interactions.6. Chemical Origin of Life: How do Five HCN Molecules Combine to form Adenine under Prebiotic and Interstellar Conditions (Debjani Roy and Paul von Ragué Schleyer).6.1 Introduction.6.2 Computational Investigation.6.3 Conclusion.References.7. Hydrogen Bonding and Proton Transfer in ionized DNA Base Pairs, Amino Acids and Peptides (Luis Rodrí guez-Santiago, Marc Noguera, Joan Bertran, and Mariona Sodupe).7.1 Introduction.7.2 Methodological Aspects.7.3 Ionization of DNA Base Pairs.7.4 Ionization of Amino Acids.7.5 Ionization of Peptides.7.6 Conclusions.References.8. To Nano-Biochemistry: Picture of the Interactions of DNA with Gold (Eugene S. Kryachko).8.1 Introductory Nanoscience Background.8.2 DNA-Gold Bonding Patterns: Some Experimental Facts.8.3 Adenine-Gold Interaction.8.4 GuanineGold Interaction.8.5 Thymine-Gold Interactions.8.6 Cytosine-Gold Interactions.8.7 Basic Trends of DNA Base-Gold Interaction.8.8 Interaction of Watson-Crick DN References.11. An Electron Density-Based Approach to the Origin of Stacking Interactions  (Ricardo A. Mosquera, Marí a J. Gonzá lez Moa, Laura Esté vez, Marcos Mandado, and Ana M. Grañ a).11.1 Inroduction.11.2 Computational Method.11.3 Charge-Transfer Complexes: Quinhydrone.11.4 π -π Interactions in Hetero-Molecular Complexes: Methyl Gallate-Caffeine Adduct.11. 5 π -π Interactions between SNA Base Pair Steps.11.6 π -π Interactions in Homo-Molecular Complexes: Catechol.11.7 C-H/π Complexes.11.8 Provisional Conclusions and Future Research.References.12. Polarizabilities of Amino Acids: Additive Models and Ab Initio Calculations (Noureddin El-Bakali Kassimi and Ajit J. Thakkar).12.1 Introduction.12.2 Models of Polarizability.12.3 Polarizabilities of the Amino Acids.12. 4 Concluding Remarks.References.13. Methods in Biocomputational Chemistry: A Lesson from the Amino Acids (Hugo J. Bohó rquez, Constanza Cá rdenas, Ché rif F. Matta, Russel J. Boyd, and Manuel E. Patarroyo).13.1 Introduction.13.2 Conformers, Rotamers and Physiochemical Variables.13.3 QTAIM Side Chain Polarizations and the Theoretical Classification of Amino Acids.13.4 Quantum Mechanical Studies of Peptide-Host Interactions.13.5 Conclusions.References.14. From Atoms in Amino Acids to the Genetic Code and Protein Stability, and Backwards (Ché rif F. Matta).14.1 Context of the Work.14.2 The Electron Density Q(r) as an Indirectly Measureable Dirac Observable.14.3 Brief Review of Some Basic Concepts of the Quantum Theory of Atoms in Molecules.14.4 Computational Approach and Level of Theory.14.5 Empirical Correlations of QTAIM Atomic Properties of Amino Acid Side Chains with Experiment.14.6 Molecular Complementarity.14.7 Closing Remarks.14.8 Appendix A X-Ray and Neutron Diffraction Geometries of the Amino Acids in the Luterature.References.15. Energy Richness of ATP in Terms of Atomic Energies: A First Step (Ché rif F. Matta and Alya A. Arabi).15.1 Introduction.15.2 How “ (De)Localized” is the Enthalpy of Bond Dissociation 15.3 The Choice of a Theoretical Level.15.4 Computational Details.15.5 (Global) Energies of the Energy of Hydrolysis of ATP in the Absence and Presence of Mg2+.15.6 How “ (De)Localized” is the Energy of Hydrolysis of ATP 15.7 Other Changes upon Hydrolysis of ATP in the Presence and Absence of Mg2+.15.8 Conclusions.References.Vol IIPart Three. Reactivity, Enzyme, Biochemical Reaction Paths and Mechanisms.16. Quantum Transition State for Peptide Bon Formation in the Ribosome (Lou Massa, Ché rif F. Matta, Ada Yonath, and Jerome Karle).16.1 Introduction.16.2 Methodology: Searching for the Transition State and Calculating its Properties.16.3 Results: The Quantum Mechanical Transition State.16.4 Discussion.16.5 Summary and Conclusions.References.17. Hydrid QM-MM Simulations of Enzyme-Catalyzed DNA Repair Reactions (Denis Bucher, Fanny Masson, J. Samuel Arey, and Ursula Rö thlisberger).17.1 Introduction.17.2 Theoretical Background.17.3 Applications.17.4 Conclusions.References.18. Englisch, Ebook.
Quantum Biochemistry: InhaltsangabeAcknowledgment.Congratulations to Professor Ada Yonath for Winning the 2009 Nobel Prize in Chemistry.Introductory Reflections on Quantum Biochemistry: From Context to Contents (Ché rif F. Matta).List of Contributors.Vol I.Part One. Novel Theoretical, Computational, and Experimental Methods and Techniques.1. Quantum Kernels and Quantum Crystallography: Applications in Biochemistry (Lulu Huang, Lou Massa, and Jerome Karle).1.1 Introduction.1.2 Origins of Quantum Crystallography (QCr).1.3 Beginnings of Quantum Kernels.1.4 Kernel Density Matrices Led to Kernel Energies.1.5 Summary and Conclusions.References.2. Getting the Most out of ONIOM: Guidelines and Pitfalls (Fernando R. Clemete, Thom Vreven, and Michael J. Frisch).2.1 Introduction.2.2 QM/MM.2.3 ONIOM.2.4 Guidelines for the Application of ONIOM.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 (Lung Wa Chung, Xin Li, and Keiji Morokuma).3.1 Introduction.3.2 Computational Strategies (Methods and Models).3.3 Metalloenzymes.3.4 Photobiology.3.5 Conclusion.References.4. From Molecular Electrostatic Potentials to Solvation Models and Ending with Biomolecular with Biomolecular Photophysical Processes (Jacopo Tomasi, Chiara Cappelli, Benedetta Mennucci, and Roberto Cammi).4.1 Introduction.4.2 The Molecular Electrostatic Potential and Noncovalent Interactions among Molecules.4.3 Solvation: the “ Continuum Model.” 4.4 Applications of the PCM Method.References.5. The Fast Marching Method for Determining Chemical Reaction Mechanisms in Complex Systems (Yuli Liu, Steven K. Burger, Bijoy K. Dey, Utpal Sarkar, Marek R. Janicki, and Paul W. Ayers).5.1 Motivation.5.2 Background.5.3 Fast Marching Method.5.4 Quantum Mechanics/Molecular Mechanics (QM/MM) Methods Applied to Enzyme-Catalyzed Reactions.5.5 Summary.References.Part Two. Nucleic Acids, Amino Acids, Peptides and Their Interactions.6. Chemical Origin of Life: How do Five HCN Molecules Combine to form Adenine under Prebiotic and Interstellar Conditions (Debjani Roy and Paul von Ragué Schleyer).6.1 Introduction.6.2 Computational Investigation.6.3 Conclusion.References.7. Hydrogen Bonding and Proton Transfer in ionized DNA Base Pairs, Amino Acids and Peptides (Luis Rodrí guez-Santiago, Marc Noguera, Joan Bertran, and Mariona Sodupe).7.1 Introduction.7.2 Methodological Aspects.7.3 Ionization of DNA Base Pairs.7.4 Ionization of Amino Acids.7.5 Ionization of Peptides.7.6 Conclusions.References.8. To Nano-Biochemistry: Picture of the Interactions of DNA with Gold (Eugene S. Kryachko).8.1 Introductory Nanoscience Background.8.2 DNA-Gold Bonding Patterns: Some Experimental Facts.8.3 Adenine-Gold Interaction.8.4 GuanineGold Interaction.8.5 Thymine-Gold Interactions.8.6 Cytosine-Gold Interactions.8.7 Basic Trends of DNA Base-Gold Interaction.8.8 Interaction of Watson-Crick DN References.11. An Electron Density-Based Approach to the Origin of Stacking Interactions  (Ricardo A. Mosquera, Marí a J. Gonzá lez Moa, Laura Esté vez, Marcos Mandado, and Ana M. Grañ a).11.1 Inroduction.11.2 Computational Method.11.3 Charge-Transfer Complexes: Quinhydrone.11.4 π -π Interactions in Hetero-Molecular Complexes: Methyl Gallate-Caffeine Adduct.11. 5 π -π Interactions between SNA Base Pair Steps.11.6 π -π Interactions in Homo-Molecular Complexes: Catechol.11.7 C-H/π Complexes.11.8 Provisional Conclusions and Future Research.References.12. Polarizabilities of Amino Acids: Additive Models and Ab Initio Calculations (Noureddin El-Bakali Kassimi and Ajit J. Thakkar).12.1 Introduction.12.2 Models of Polarizability.12.3 Polarizabilities of the Amino Acids.12. 4 Concluding Remarks.References.13. Methods in Biocomputational Chemistry: A Lesson from the Amino Acids (Hugo J. Bohó rquez, Constanza Cá rdenas, Ché rif F. Matta, Russel J. Boyd, and Manuel E. Patarroyo).13.1 Introduction.13.2 Conformers, Rotamers and Physiochemical Variables.13.3 QTAIM Side Chain Polarizations and the Theoretical Classification of Amino Acids.13.4 Quantum Mechanical Studies of Peptide-Host Interactions.13.5 Conclusions.References.14. From Atoms in Amino Acids to the Genetic Code and Protein Stability, and Backwards (Ché rif F. Matta).14.1 Context of the Work.14.2 The Electron Density Q(r) as an Indirectly Measureable Dirac Observable.14.3 Brief Review of Some Basic Concepts of the Quantum Theory of Atoms in Molecules.14.4 Computational Approach and Level of Theory.14.5 Empirical Correlations of QTAIM Atomic Properties of Amino Acid Side Chains with Experiment.14.6 Molecular Complementarity.14.7 Closing Remarks.14.8 Appendix A X-Ray and Neutron Diffraction Geometries of the Amino Acids in the Luterature.References.15. Energy Richness of ATP in Terms of Atomic Energies: A First Step (Ché rif F. Matta and Alya A. Arabi).15.1 Introduction.15.2 How “ (De)Localized” is the Enthalpy of Bond Dissociation 15.3 The Choice of a Theoretical Level.15.4 Computational Details.15.5 (Global) Energies of the Energy of Hydrolysis of ATP in the Absence and Presence of Mg2+.15.6 How “ (De)Localized” is the Energy of Hydrolysis of ATP 15.7 Other Changes upon Hydrolysis of ATP in the Presence and Absence of Mg2+.15.8 Conclusions.References.Vol IIPart Three. Reactivity, Enzyme, Biochemical Reaction Paths and Mechanisms.16. Quantum Transition State for Peptide Bon Formation in the Ribosome (Lou Massa, Ché rif F. Matta, Ada Yonath, and Jerome Karle).16.1 Introduction.16.2 Methodology: Searching for the Transition State and Calculating its Properties.16.3 Results: The Quantum Mechanical Transition State.16.4 Discussion.16.5 Summary and Conclusions.References.17. Hydrid QM-MM Simulations of Enzyme-Catalyzed DNA Repair Reactions (Denis Bucher, Fanny Masson, J. Samuel Arey, and Ursula Rö thlisberger).17.1 Introduction.17.2 Theoretical Background.17.3 Applications.17.4 Conclusions.References.18. Englisch, Ebook.
5
Quantum Biochemistry (2010)
DE NW EBISBN: 9783527629220 bzw. 352762922X, in Deutsch, Wiley Vch, neu, E-Book.
Lieferung aus: Schweiz, Sofort per Download lieferbar.
Die Beschreibung dieses Angebotes ist von geringer Qualität oder in einer Fremdsprache. Trotzdem anzeigen
Die Beschreibung dieses Angebotes ist von geringer Qualität oder in einer Fremdsprache. Trotzdem anzeigen
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Quantum Biochemistry (2009)
DE NW EB DLISBN: 9783527629220 bzw. 352762922X, in Deutsch, Springer Berlin Heidelberg, neu, E-Book, elektronischer Download.
Lieferung aus: Vereinigtes Königreich Großbritannien und Nordirland, Despatched same working day before 3pm.
Die Beschreibung dieses Angebotes ist von geringer Qualität oder in einer Fremdsprache. Trotzdem anzeigen
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Quantum Biochemistry (2009)
DE NW EB DLISBN: 9783527629220 bzw. 352762922X, in Deutsch, John Wiley & Sons Limited (prof), neu, E-Book, elektronischer Download.
Lieferung aus: Russische Föderation, zzgl. Versandkosten.
Die Beschreibung dieses Angebotes ist von geringer Qualität oder in einer Fremdsprache. Trotzdem anzeigen
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