Linearly scaling and almost Hamiltonian dielectric continuum molecular dynamics simulations through fast multipole expansions-Reference-Cited by-同舟云学术

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Linearly scaling and almost Hamiltonian dielectric continuum molecular dynamics simulations through fast multipole expansions

Published:2015-11-14 Issue:18 Volume:143 Page:184114
ISSN:0021-9606
Container-title:The Journal of Chemical Physics
language:en
Short-container-title:The Journal of Chemical Physics

Author:

Lorenzen Konstantin¹,Mathias Gerald¹,Tavan Paul¹

Affiliation:

1. Lehrstuhl für BioMolekulare Optik, Ludig–Maximilians Universität München, Oettingenstr. 67, 80538 München, Germany

Funder

Deutsche Forschungsgemeinschaft (DFG)

Bayerisches Staatsministerium für Bildung und Kultus, Wissenschaft und Kunst (Bavarian State Ministry of Education, Science and the Arts)

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://aip.scitation.org/doi/pdf/10.1063/1.4935514

Reference64 articles.

1. A Second Generation Force Field for the Simulation of Proteins, Nucleic Acids, and Organic Molecules

2. All-Atom Empirical Potential for Molecular Modeling and Dynamics Studies of Proteins

3. A biomolecular force field based on the free enthalpy of hydration and solvation: The GROMOS force-field parameter sets 53A5 and 53A6

4. Empirical force fields for biological macromolecules: Overview and issues

5. Biomolecular Modeling: Goals, Problems, Perspectives

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1. A polarizable QM/MM approach to the molecular dynamics of amide groups solvated in water;The Journal of Chemical Physics;2016-03-21

2. Simulated Solute Tempering in Fully Polarizable Hybrid QM/MM Molecular Dynamics Simulations;Journal of Chemical Theory and Computation;2016-02-19

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