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Effect of Water Models on The Stability of RNA: Role of Counter-Ions
Published 2023-12-01“…Various force fields and water model potentials influence significantly RNA conformations. …”
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Modeling Dam Break Events Using Shallow Water Model
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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Competing quantum effects in the dynamics of a flexible water model.
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. …”
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Influence of water models on water movement through AQP1
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. …”
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New dynamical behaviors for a new extension of the Shallow water model
Published 2022-10-01Subjects: “…Shallow water model…”
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Capturing Physical Dispersion Using a Nonlinear Shallow Water Model
Published 2018-07-01Get full text
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28
Impact of the Alamosa gap-filling radar on streamflow in the National Water Model
Published 2023-01-01Subjects: Get full text
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Computational Study of Micropropulsion Mechanism in Water Modeled on Flagellum with Projecting Mastigonemes
Published 2009-01-01Get full text
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Cavity-ligand binding in a simple two-dimensional water model
Published 2016-02-01Subjects: Get full text
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Topological microstructure analysis of the TIP4P-EW water model
Published 2014-06-01“…Molecular dynamics (MD) simulations of rigid water model TIP4P-EW at ambient conditions were carried out. …”
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32
A QM/MM Derived Polarizable Water Model for Molecular Simulation
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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Porous Shallow Water Modeling for Urban Floods in the Zhoushan City, China
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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Effect of water models on transmembrane self-assembled cyclic peptide nanotubes
Published 2021“…However, it is less clear how these water models behave in the nanoconfined condition inside a channel. …”
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Linking electricity and water models to assess electricity choices at water-relevant scales
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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Experimental validation of transient source term in porosity-based shallow water models
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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A GPU-Accelerated and LTS-Based Finite Volume Shallow Water Model
Published 2022-03-01Subjects: “…shallow water model…”
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On the Choice of Different Water Model in Molecular Dynamics Simulations of Nanopore Transport Phenomena
Published 2022-11-01Subjects: Get full text
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