Calculations of the Absolute Free Energies of Binding between RNA and Metal Ions Using Molecular Dynamics Simulations and Continuum Electrostatics
- 24 October 2001
- journal article
- research article
- Published by American Chemical Society (ACS) in The Journal of Physical Chemistry B
- Vol. 105 (45) , 11314-11325
- https://doi.org/10.1021/jp011923z
Abstract
No abstract availableKeywords
This publication has 26 references indexed in Scilit:
- Calculating Structures and Free Energies of Complex Molecules: Combining Molecular Mechanics and Continuum ModelsAccounts of Chemical Research, 2000
- Solution structure and metal-ion binding of the P4 element from bacterial RNase P RNARNA, 2000
- Computational Alanine Scanning To Probe Protein−Protein Interactions: A Novel Approach To Evaluate Binding Free EnergiesJournal of the American Chemical Society, 1999
- Structure and thermodynamics of metal binding in the P5 helix of a group I intron ribozyme 1 1Edited by P. E. WrightJournal of Molecular Biology, 1999
- Solution structure and thermodynamics of a divalent metal ion binding site in an RNA pseudokno 1 1Edited by D. E. DraperJournal of Molecular Biology, 1999
- A Modified Version of the Cornellet al.Force Field with Improved Sugar Pucker Phases and Helical RepeatJournal of Biomolecular Structure and Dynamics, 1999
- Continuum Solvent Studies of the Stability of RNA Hairpin Loops and HelicesJournal of Biomolecular Structure and Dynamics, 1998
- Solution structure of a metal-binding site in the major groove of RNA complexed with cobalt (III) hexammineStructure, 1997
- A Second Generation Force Field for the Simulation of Proteins, Nucleic Acids, and Organic MoleculesJournal of the American Chemical Society, 1995
- Significance and mechanism of divalent-ion binding to transfer RNABiophysical Journal, 1982