Parameters of Monovalent Ions in the AMBER-99 Forcefield: Assessment of Inaccuracies and Proposed Improvements-Reference-Cited by-同舟云学术

Parameters of Monovalent Ions in the AMBER-99 Forcefield: Assessment of Inaccuracies and Proposed Improvements

Published:2007-09-22 Issue:41 Volume:111 Page:11884-11887
ISSN:1520-6106
Container-title:The Journal of Physical Chemistry B
language:en
Short-container-title:J. Phys. Chem. B

Author:

Chen Alan A.¹,Pappu Rohit V.¹

Affiliation:

1. Molecular Biophysics Program & Center for Computational Biology, Washington University School of Medicine, St. Louis, Missouri 63110, and Department of Biomedical Engineering & Center for Computational Biology, Washington University in St. Louis, One Brookings Drive, Campus Box 1097, St. Louis, Missouri 63130

Publisher

American Chemical Society (ACS)

Subject

Materials Chemistry,Surfaces, Coatings and Films,Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/jp0765392

Reference31 articles.

1. Thermodynamic analysis of ion effects on the binding and conformational equilibria of proteins and nucleic acids: the roles of ion association or release, screening, and ion effects on water activity

2. Intrusion of Counterions into the Spine of Hydration in the Minor Groove of B-DNA: Fractional Occupancy of Electronegative Pockets

3. Electrostatic correlations and fluctuations for ion binding to a finite length polyelectrolyte

4. Ion motions in molecular dynamics simulations on DNA

5. Insight into the stabilization of A-DNA by specific ion association: spontaneous B-DNA to A-DNA transitions observed in molecular dynamics simulations of d[ACCCGCGGGT]2 in the presence of hexaamminecobalt(III)

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