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    Comparison of three one-dimensional time-domain electromagnetic forward algorithms by Frederik Alexander Falk, Anders Vest Christiansen, Thomas Mejer Hansen

    Published 2025-06-01
    “…Lastly, Geoscience Australia is open source, accurate, and fast, but can only model dipole sources.…”
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    A machine-learning framework for accelerating spin-lattice relaxation simulations by Valerio Briganti, Alessandro Lunghi

    Published 2025-03-01
    “…We apply this method to three open-shell coordination compounds exhibiting long relaxation times and show that this approach achieves semi-to-full quantitative agreement with ab initio methods reducing the computational cost by about 80%. …”
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    Positive allosteric modulators of lecithin: Cholesterol acyltransferase adjust the orientation of the membrane-binding domain and alter its spatial free energy profile. by Akseli Niemelä, Artturi Koivuniemi

    Published 2021-03-01
    “…The MBD's different spatial arrangement plausibly affects the lid's movement from closed to open state and vice versa, as suggested by steered molecular dynamics simulations.…”
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  19. 2579

    MitoTracer facilitates the identification of informative mitochondrial mutations for precise lineage reconstruction. by Xuexin Yu, Jing Hu, Yuhao Tan, Mingyao Pan, Hongyi Zhang, Bo Li

    Published 2025-06-01
    “…Here, we introduced an open-source computational algorithm called "MitoTracer", which accurately identified clonally informative MT mutations and inferred evolutionary lineage from scRNA-seq or scATAC-seq samples. …”
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    Mechanical evolution of DNA double-strand breaks in the nucleosome. by Fabrizio Cleri, Fabio Landuzzi, Ralf Blossey

    Published 2018-06-01
    “…We performed microsecond-long molecular dynamics computer simulations of nucleosomes including a DSB at various sites, to characterize the early stages of the evolution of this DNA lesion. …”
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