Multisite Ion Models That Improve Coordination and Free Energy Calculations in Molecular Dynamics Simulations-Reference-Cited by-同舟云学术

Multisite Ion Models That Improve Coordination and Free Energy Calculations in Molecular Dynamics Simulations

Published:2013-07-18 Issue:8 Volume:9 Page:3538-3542
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Saxena Akansha¹²,Sept David¹

Affiliation:

1. Department of Biomedical Engineering and Center for Computational Medicine and Bioinformatics, University of Michigan, Ann Arbor, Michigan 48109, United States

2. Department of Physics, Applied Physics and Astronomy, Rensselaer Polytechnic Institute, Troy, New York 12180, United States

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/ct400177g

Reference51 articles.

1. Halide, Ammonium, and Alkali Metal Ion Parameters for Modeling Aqueous Solutions

2. Ion-water interaction potentials derived from free energy perturbation simulations

3. Determination of Alkali and Halide Monovalent Ion Parameters for Use in Explicitly Solvated Biomolecular Simulations

4. Finite representation of an infinite bulk system: Solvent boundary potential for computer simulations

Cited by 75 articles. 订阅此论文施引文献订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. SLC24A-mediated calcium exchange as an indispensable component of the diatom cell density-driven signaling pathway;The ISME Journal;2024-01-01

2. Molecular Dynamics Calculation of the Coordination Behavior of Yb (III) in Sodium Carbonate Solution;Processes;2023-09-02

3. Curvature Matters: Modeling Calcium Binding to Neutral and Anionic Phospholipid Bilayers;The Journal of Physical Chemistry B;2023-05-16

4. Alchemical Osmostat for Monte Carlo Simulation: Sampling Aqueous Electrolyte Solution in Open Systems;The Journal of Physical Chemistry B;2023-01-12

5. Dynamic regulation of Zn(II) sequestration by calgranulin C;Protein Science;2022-08-13