Molecular Dynamics Simulations Accelerated by GPU for Biological Macromolecules with a Non-Ewald Scheme for Electrostatic Interactions-Reference-Cited by-同舟云学术

Molecular Dynamics Simulations Accelerated by GPU for Biological Macromolecules with a Non-Ewald Scheme for Electrostatic Interactions

Published:2013-11-19 Issue:12 Volume:9 Page:5599-5609
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Mashimo Tadaaki¹²,Fukunishi Yoshifumi³,Kamiya Narutoshi⁴,Takano Yu⁴⁵,Fukuda Ikuo⁴,Nakamura Haruki³⁴

Affiliation:

1. Japan Biological Informatics Consortium (JBIC), 2-3-26, Aomi, Koto-ku, Tokyo 135-0064, Japan

2. Information and Mathematical Science Bio Inc., Owl Tower, 4-21-1, Higashi-Ikebukuro, Toshima-ku, Tokyo 170-0013, Japan

3. Molecular Profiling Research Center for Drug Discovery (molprof), National Institute of Advanced Industrial Science and Technology (AIST), 2-3-26, Aomi, Koto-ku, Tokyo 135-0064, Japan

4. Institute for Protein Research, Osaka University, 3-2 Yamadaoka, Suita, Osaka 565-0871, Japan

5. JST, CREST, 4-1-8 Honcho, Kawaguchi, Saitama 332-0012, Japan

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/ct400342e

Reference55 articles.

1. Molecular dynamics and protein function

2. Atomic-Level Characterization of the Structural Dynamics of Proteins

3. Molecular dynamics simulations and drug discovery

4. Selection of In Silico Drug Screening Results for G-Protein-Coupled Receptors by Using Universal Active Probes

Cited by 50 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. Parallel Brownian dynamics implementation of the Angular Averaged Ewald sums in Coulombic fluids;Journal of Molecular Liquids;2024-09

2. Molecular dynamics simulation analysis of structural dynamic cross correlation induced by odorant hydrogen-bonding in mouse eugenol ol- factory receptor;Biophysics and Physicobiology;2024

3. A cutoff-based method with charge-distribution-data driven pair potentials for efficiently estimating electrostatic interactions in molecular systems;The Journal of Chemical Physics;2023-12-19

4. Molecular dynamics simulation analysis of structural dynamic cross correlation induced by odorant hydrogen-bonding in mouse eugenol olfactory receptor^*;2023-11-05

5. Non-Ewald methods for evaluating the electrostatic interactions of charge systems: similarity and difference;Biophysical Reviews;2022-12