Format:
Online-Ressource (XI, 636 S.)
Edition:
Online-Ausg. 2006 Springer eBook Collection. Chemistry and Materials Science Electronic reproduction; Available via World Wide Web
ISBN:
9781402047947
Series Statement:
Challenges and advances in computational chemistry and physics 2
Content:
Includes, in an integrated way, computational studies of nucleic acids, ranging from advanced electronic structure quantum chemical calculations through explicit solvent molecular dynamics (MD) simulations up to mesoscopic modelling. This book also presents the basic principles of nucleic acid structure and structural databases
Note:
Includes bibliographical references and index
,
CONTENTS; Preface; 1. Basics of Nucleic Acid Structure Concepts, Tools, and Archives Bohdan Schneider and Helen M. Berman; 2. Using Amber to Simulate DNA and RNA Thomas E. Cheatham, III and David A. Case; 3. Theoretical Studies of Nucleic Acids and Nucleic Acid-Protein Complexes using Charmm Alexander D. MacKerell, Jr. and Lennart Nilsson; 4. Continuum Sovent Models to Study the Structure ad Dynamics of Nucleic Acids and Complexes with Ligands Martin Zacharias; 5. Data Mining of Molecular Dynamic Trajectories of Nucleic Acids Modesto Orozco, Agnes Noy, Tim Meyer, Manuel Rueda,
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6. Enhanced Samplung Methods for Atomistic Simulation of Nucleic Acids Catherine Kelso and Carlos Simmerling7. Modeling DNA Deformation Péter Várnai and Richard Lavery; 8. Molecular Dynamics Simulations and Free Energy Calculations on Protein-Nucleic Acid Complexes David L. Beveridge, Surjit B. Dixit, Bethany L. Kormos; 9. DNA Simulation Benchmarks as revealed by X-Ray Structures Wilma K. Olson, Andrew V. Colasanti, Yun Li, Wei Ge,; 10. RNA: The Cousin Left Behind Becomes a Star Tamar Schlick
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11. Molecular Dynamics Simulations of RNA Systems: Importance of the Initial Conditions RNA molecular dynamics Wolfgang Schöfberger, Vladimír Sychrovský and12. Molecular Dynamics Simulations of Nucleic Acids MD simulations of G-DNA and functional RNAs Nad'a Spacková, Thomas E. Cheat; 13. Using Computer Simulations to Study Decoding by the Ribosome Kevin Y. Sanbonmatsu; 14. Base Stacking and Base Pairing Jiri Sponer, Petr Jureka and Pavel Hobza; 15.Interaction of Metal Cations with Nucleic Acids and their Building Units Judit E. Sponer, Jaroslav V. Burda, Jerzy Leszczynk
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16. Proton Transfer in DNA Base Pairs Potential mutagenic processes J. Bertran, L. Blancafort, M. Noguera, M. Sodupe17. Comparative Study of Quantum Mechanical Methods Related to Nucleic Acid Bases: Electronic Spectra, Excited State Structures and Interactions M.K. Shukla and Jerzy Leszczynski; 18. Substituent Effects on Hydrogen Bonds in DNA A Kohn-Sham DFT approach Célia Fonseca Guerra and F.Matthias Bickelhaupt; 19. Computational Modeling of Charge Transfer in DNA Alexander A. Voityuk
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20. Quantum Chemical Calculations of NMR Parameters Wolfgang Schöfberger, Vladimir Sychrovsky and Lukás Trantirek21. The Importance of Entropic Factors in DNA Behaviour: Insights From Simulations Sarah A. Harris and Charles A. Laughton; 22. Sequence-Dependent Harmonic Deformability of Nucleic Acids Inferred from Atomistic Molecular Dynamics Filip Lankas; 23. Simulation of Equilibrium and Dynamic Properties of Large DNA Molecules Alexander Vologodskii; 24. Chromatin Simulations From DNA to chromatin fibers J. Langowski and H. Schiessel; Index
,
Electronic reproduction; Available via World Wide Web
Additional Edition:
ISBN 9781402048517
Additional Edition:
ISBN 9781402047947
Additional Edition:
Erscheint auch als Druck-Ausgabe Computational studies of RNA and DNA Dordrecht : Springer, 2006 ISBN 1402047940
Additional Edition:
ISBN 9781402047947
Language:
English
Subjects:
Chemistry/Pharmacy
Keywords:
RNS
;
Bioinformatik
;
DNS
;
Bioinformatik
;
Aufsatzsammlung
DOI:
10.1007/978-1-4020-4851-3
URL:
Volltext
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