Molecular dynamics scheme for precise estimation of electrostatic interaction via zero-dipole summation principle.

Keywords

Simple (philosophy), Dipole, Current (fluid), Generalization, Charge (physics)

References

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• Consistent Molecular Dynamics Scheme Applying the Wolf Summation for Calculating Electrostatic Interaction of Particles(Atomic and molecular physics)Ikuo Fukuda, Yasushige Yonezawa, Haruki Nakamura — 2008
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Cited by

• Structure of the entire stalk region of the Dynein motor domain.憲二 加藤 — 2014
• Development of Improved Models for Gas Sorption SimulationKeith McLaughlin — 2013
• Molecular dynamics approach to mica surfacereconstructionMu Xu — 2014
• The thermodynamics of charged defects in ionic crystalsRobert Horton — 2013
• Virtual‐system‐coupled adaptive umbrella sampling to compute free‐energy landscape for flexible molecular dockingJunichi Higo, Bhaskar Dasgupta, Tadaaki Mashimo — 2015
• Adaptive resolution simulation in equilibrium and beyondH. Wang, Animesh Agarwal — 2014
• Treating electrostatics with Wolf summation in combined quantum mechanical and molecular mechanical simulations.Pedro Ojeda-May, Jingzhi Pu — 2015
• Simple and accurate scheme to compute electrostatic interaction: zero-dipole summation technique for molecular system and application to bulk water.Ikuo Fukuda, Narutoshi Kamiya, Yasushige Yonezawa — 2012
• Non-Ewald methods: theory and applications to molecular systemsIkuo Fukuda, Haruki Nakamura — 2012
• Classical Electrostatics for Biomolecular SimulationsG. Andrés Cisneros, Mikko Karttunen, Pengyu Ren — 2013
• Molecular Dynamics Simulations Accelerated by GPU for Biological Macromolecules with a Non-Ewald Scheme for Electrostatic Interactions.Tadaaki Mashimo, Yoshifumi Fukunishi, Narutoshi Kamiya — 2013
• Real space electrostatics for multipoles. I. Development of methods.Madan Lamichhane, J. Daniel Gezelter, Kathie E. Newman — 2014
• Potential of mean force between identical charged nanoparticles immersed in a size-asymmetric monovalent electrolyte.Guillermo Iván Guerrero-García, P. González-Mozuelos, Mónica Olvera de la Cruz — 2011
• Application of zero-dipole summation method to molecular dynamics simulations of a membrane protein systemNarutoshi Kamiya, Ikuo Fukuda, Haruki Nakamura — 2013
• Excluded volume and ion-ion correlation effects on the ionic atmosphere around B-DNA: theory, simulations, and experiments.Zaven Ovanesyan, Bharat Medasani, Márcia O. Fenley — 2014
• Efficient calculation of many-body induced electrostatics in molecular systems.Keith McLaughlin, Christian R. Cioce, Tony Pham — 2013
• Petascale molecular dynamics simulation using the fast multipole method on K computerYousuke Ohno, Rio Yokota, Hiroshi Koyama — 2014
• Molecular Dynamics Simulations of Double-Stranded DNA in an Explicit Solvent Model with the Zero-Dipole Summation MethodTakamasa Arakawa, Narutoshi Kamiya, Haruki Nakamura — 2013
• Zero-multipole summation method for efficiently estimating electrostatic interactions in molecular system.Ikuo Fukuda — 2013
• Damped reaction field method and the accelerated convergence of the real space Ewald summation.Victor H. Elvira, Luis G. MacDowell — 2014

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