Showing 21 - 40 results of 770 for search '"water model"', query time: 0.64s Refine Results
  1. 21

    Effect of Water Models on The Stability of RNA: Role of Counter-Ions by Omkar Singh, Pushyaraga P Venugopal, Debashree Chakraborty

    Published 2023-12-01
    “…Various force fields and water model potentials influence significantly RNA conformations. …”
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    Article
  2. 22

    Modeling Dam Break Events Using Shallow Water Model by Alessandro Annunziato, Gozde Guney Dogan, Ahmet Cevdet Yalciner

    Published 2023-06-01
    “…This study aimed to develop a procedure that strongly facilitates the preparation of the input deck and the derivation of the output quantities to allow a fast analysis of a dam break event using a shallow water model, NAMI DANCE, as the analysis tool. The analysis shows that in a few minutes, it is possible to obtain the input deck for a new case. …”
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    Article
  3. 23

    Competing quantum effects in the dynamics of a flexible water model. by Habershon, S, Markland, T, Manolopoulos, D

    Published 2009
    “…This effect is much smaller than that observed in all previous simulations of empirical water models, which have found a quantum effect of at least 1.4 regardless of the quantum simulation method or the water model employed. …”
    Journal article
  4. 24

    Influence of water models on water movement through AQP1 by Gonzalez, MA, Zaragoza, A, Lynch, C, Sansom, MSP, Valeriani, C

    Published 2021
    “…From this study, we find that the choice of the water model has a significant effect on the computed water dynamics as well as its molecular behaviour within a biological nanopore. …”
    Journal article
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    Topological microstructure analysis of the TIP4P-EW water model by Ilya Nikolaevich Svistunov, Alexander Sergeyevich Kolokol, Alexander Lvovich Shimkevich

    Published 2014-06-01
    “…Molecular dynamics (MD) simulations of rigid water model TIP4P-EW at ambient conditions were carried out. …”
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    Article
  12. 32

    A QM/MM Derived Polarizable Water Model for Molecular Simulation by Koen M. Visscher, William C. Swope, Daan P. Geerke

    Published 2018-11-01
    “…By fitting electrostatic, polarization and dispersion properties of our water model based on quantum and/or combined QM/MM calculations, only a single model parameter (describing exchange repulsion) is left for empirical calibration. …”
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    Article
  13. 33

    Porous Shallow Water Modeling for Urban Floods in the Zhoushan City, China by Wei Li, Bingrun Liu, Peng Hu, Zhiguo He, Jiyu Zou

    Published 2021-07-01
    “…Here, two models (the classical shallow water model that approximates complex buildings by locally refined meshes, and the porous shallow water model that adopts the concept of porosity) are developed and compared for the city of Zhoushan. …”
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    Article
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    Effect of water models on transmembrane self-assembled cyclic peptide nanotubes by Calvelo, M, Lynch, CI, Granja, JR, Sansom, M, Garcia-Fandiño, R

    Published 2021
    “…However, it is less clear how these water models behave in the nanoconfined condition inside a channel. …”
    Journal article
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    Linking electricity and water models to assess electricity choices at water-relevant scales by S Sattler, J Macknick, D Yates, F Flores-Lopez, A Lopez, J Rogers

    Published 2012-01-01
    “…Here we describe linking the electricity and water models, including translating electricity generation results from ReEDS-relevant geographies to the water-relevant geographies of WEAP. …”
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    Article
  18. 38

    Experimental validation of transient source term in porosity-based shallow water models by Guinot Vincent, Soares-Frazão Sandra, Delenne Carole

    Published 2018-01-01
    “…Porosity-based shallow water models for the simulation of urban floods incorporate additional energy dissipation terms compared to the usual two-dimensional shallow water equations. …”
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    Article
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