Streaming Molecular Dynamics Simulation Data for On-the-Fly Processing and Analysis

Amruthesh Thirumalaiswamy, Lawson J. Woods, Heekun Cho, Hugo MacDermott-Opeskin, Jennifer Clark, Irfan Alibay, Yuxuan Zhuang, Oliver Beckstein, Matthias Heyden

Open source

DOI
10.1021/acs.jctc.6c01055
Published
2026-09-02
Container
Journal of Chemical Theory and Computation
Publisher
American Chemical Society (ACS)
Open access
unknown

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BibTeX

@article{allodium:10.1021/acs.jctc.6c01055,
  title = {Streaming Molecular
Dynamics Simulation Data for On-the-Fly
Processing and Analysis},
  author = {Amruthesh Thirumalaiswamy and Lawson J. Woods and Heekun Cho and Hugo MacDermott-Opeskin and Jennifer Clark and Irfan Alibay and Yuxuan Zhuang and Oliver Beckstein and Matthias Heyden},
  year = {2026},
  journal = {Journal of Chemical Theory
and Computation},
  doi = {10.1021/acs.jctc.6c01055},
  url = {https://doi.org/10.1021/acs.jctc.6c01055}
}

RIS

TY  - JOUR
TI  - Streaming Molecular
Dynamics Simulation Data for On-the-Fly
Processing and Analysis
AU  - Amruthesh Thirumalaiswamy
AU  - Lawson J. Woods
AU  - Heekun Cho
AU  - Hugo MacDermott-Opeskin
AU  - Jennifer Clark
AU  - Irfan Alibay
AU  - Yuxuan Zhuang
AU  - Oliver Beckstein
AU  - Matthias Heyden
PY  - 2026
JO  - Journal of Chemical Theory
and Computation
DO  - 10.1021/acs.jctc.6c01055
UR  - https://doi.org/10.1021/acs.jctc.6c01055
ER  - 

APA

Thirumalaiswamy, A., Woods, L. J., Cho, H., MacDermott-Opeskin, H., Clark, J., Alibay, I., Zhuang, Y., Beckstein, O., & Heyden, M. (2026). Streaming Molecular Dynamics Simulation Data for On-the-Fly Processing and Analysis. Journal of Chemical Theory and Computation. https://doi.org/10.1021/acs.jctc.6c01055

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