Molecular modeling of nucleic acids /

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Bibliographic Details
Imprint:Washington, DC : American Chemical Society, c1998.
Description:x, 435 p. : ill. (some col.) ; 24 cm.
Language:English
Series:ACS symposium series 682
Subject:
Format: Print Book
URL for this record:http://pi.lib.uchicago.edu/1001/cat/bib/2858161
Hidden Bibliographic Details
Other authors / contributors:Leontis, Neocles B.
SantaLucia, John, 1964-
American Chemical Society. Division of Computers in Chemistry.
American Chemical Society. Meeting (213th : 1997 : San Francisco, Calif.)
ISBN:0841235414
Notes:"Developed from a symposium sponsored by the Division of Computers in Chemistry, at the 213th National Meeting of the American Chemical Society, San Francisco, CA, April 13-17, 1997."
Includes bibliographical references and indexes.
Table of Contents:
  • 1. Overview
  • Quantum Mechanical Calculations and Empirical Force Field Parametrization
  • 2. The Energetics of Nucleotide Ionization in Water Counterion Environments
  • 3. Parameterization and Simulation of the Physical Properties of Phosphorothioate Nucleic Acids
  • X-ray Crystallograpy
  • 4. Crystallographic Studies of RNA Internal Loops
  • 5. Hydrogen-Bonding Patterns Observed in the Base Pairs of Duplex Oligonucleotides
  • Spectroscopic Studies
  • 6. Structure and Stability of DNA Containing Inverted Anomeric Centers and Polarity Reversals
  • 7. Conformational Analysis of Nucleic Acids: Problems and Solutions
  • 8. NMR Structure Determination of a 28-Nucleotide Signal Recognition Particle RNA with Complete Relaxation Matrix Methods Using Corrected Nuclear Overhauser Effect Intensities
  • 9. Molecular Modeling of DNA Using Raman and NMR Data, and the Nuclease Activity of 1,10-Phenanthroline Copper Ion
  • 10. Three-Dimensional NOESY NOESY Hybrid Hybrid Matrix Refinement of a DNA Three-Way Junction
  • 11. Determination of Structural Ensembles from NMR Data: Conformational Sampling and Probability Assessment
  • 12. NMR Studies of the Binding of an SPXX-Containing Peptide from High-Molecular-Weight Basic Nuclear Proteins to an A-T Rich DNA Hairpin
  • Secondary Structure Prediction
  • 13. Thermodynamics of Duplex Formation and Mismatch Discrimination on Photolithographically Synthesized Oligonucleotide Arrays
  • 14. RNA Folding Dynamics: Computer Simulations by a Genetic Algorithm
  • 15. An Updated Recursive Algorithm for RNA Secondary Structure Prediction with Improved Thermodynamic
  • Molecular Dynamics Simulation
  • 16. Modeling of DNA via Molecular Dynamics Simulation: Structure, Bending, and Conformational Tansitions
  • 17. Molecular Dynamics Simulations on Nucleic Acid Systems Using the Cornell et al. Force Field and Particle Mesh Ewald Electrostatics
  • 18. Observations on the A versus B Equilibrium in Molecular Dynamics Simulations of Duplex DNA and RNA
  • 19. Modeling Duplex DNA Oligonucleotides with Modified Pyrimidine Bases
  • 20. How the TATA Box Selects Its Protein Partner
  • 21. RNA Tectonics and Modular Modeling of RNA
  • Modeling with Low-Resolution Data
  • 22. Hairpin Ribozyme Structure and Dynamics