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Computational studies of RNA and DNA

Gebonden Engels 2006 2006e druk 9781402047947
Verwachte levertijd ongeveer 9 werkdagen

Samenvatting

This book integrates modern computational studies of nucleic acids, ranging from advanced electronic structure quantum chemical calculations through explicit solvent molecular dynamics (MD) simulations up to mesoscopic modelling, with the main focus given to the MD field. It gives an equal emphasis to the leading methods and applications while successes as well as pitfalls of the computational techniques are discussed.

Specificaties

ISBN13:9781402047947
Taal:Engels
Bindwijze:gebonden
Aantal pagina's:638
Uitgever:Springer Netherlands
Druk:2006

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Inhoudsopgave

<P>1. Basics of Nucleic Acid Structure, Bohdan Schneider and Helen M. Berman</P>
<P>2. Using Amber to Simulate DNA and RNA, Thomas E. Cheatham, III and David A. Case</P>
<P>3. Theoretical Studies of Nucleic Acids and Nucleic Acid-Protein Complexes using Charmm, Alexander D. MacKerell, Jr. and Lennart Nilsson</P>
<P>4. Continuum Solvent Models to Study the Structure and Dynamics of Nucleic Acids and Complexes with Ligands, Martin Zacharias </P>
<P>5. Data Mining of Molecular Dynamic Trajectories of Nucleic Acids, Modesto Orozco, Agnes Noy, Tim Meyer, Manuel Rueda, Carles Ferrer, Antonio Valencia, Alberto Pérez, Oliver Carrillo, Juan Fernandez-Recio, Xavier de la Cruz and F. Javier Luque </P>
<P>6. Enhanced Sampling Methods for Atomistic Simulation of Nucleic Acids, Catherine Kelso and Carlos Simmerling </P>
<P>7. Modeling DNA Deformation, Péter Várnai and Richard Lavery </P>
<P>8. Molecular Dynamics Simulations and Free Energy Calculations on Protein-Nucleic Acid Complexes, David L. Beveridge, Surjit B. Dixit, Bethany L. Kormos, Anne M. Baranger and B. Jayaram </P>
<P>9. DNA Simulation Benchmarks as Revealed by X-Ray Structures, Wilma K. Olson, Andrew V. Colasanti, Yun Li, Wei Ge, Guohui Zheng, and Victor B. Zhurkin </P>
<P>10. RNA: The Cousin Left Behind Becomes a Star, Tamar Schlick </P>
<P>11. Molecular Dynamics Simulations of RNA Systems: Importance of the Initial Conditions, Pascal Auffinger</P>
<P>12. Molecular Dynamics Simulations of Nucleic Acids, Nad‘a Špaþková, Thomas E. Cheatham, III and Jirí Šponer</P>
<P>13. Using Computer Simulations to Study Decoding by the Ribosome, Kevin Y. Sanbonmatsu</P>
<P>14. Base Stacking and Base Pairing, Jirí Šponer, Petr Jureþka and Pavel Hobza</P>
<P>15. Interaction of Metal Cations with Nucleic Acids and their Building Units, Judit E. Šponer, Jaroslav V. Burda, Jerzy Leszczynki, and Jirí Šponer</P>
<P>16. Proton Transfer in DNA Base Pairs, J. Bertran, L. Blancafort, M. Noguera, M. Sodupe</P>
<P>17. Comparative Study of Quantum Mechanical Methods Related to Nucleic Acid Bases: Electronic Spectra, Excited State Structures and Interactions, M.K. Shukla and Jerzy Leszczynski</P>
<P>18. Substituent Effects on Hydrogen Bonds in DNA, Célia Fonseca Guerra and F. Matthias Bickelhaupt</P>
<P>19. Computational modeling of Charge Transfer in DNA, Alexander A. Voityuk</P>
<P>20. Quantum Chemical Calculations of NMR Parameters, Wolfgang Schöfberger, Vladimír Sychrovský and Lukáš Trantírek</P>
<P>21. The Importance of Entropic Factors in DNA Behaviour: Insights from Simulations, Sarah A. Harris and Charles A. Laughton</P>
<P>22. Sequence-Dependent Harmonic Deformability of Nucleic Acids Inferred from Atomistic Molecular Dynamics, Filip Lankaš</P>
<P>23. Simulation of Equilibrium and Dynamic Properties of Large DNA Molecules, Alexander Vologodskii</P>
<P>24. Chromatin Simulations, J. Langowski and H. Schiessel </P>

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