Explicit-Solvent Molecular Dynamics Simulations of the Polysaccharide Schizophyllan in Water

Comparison of simple potential functions for simulating liquid water

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Engineering, Liquid-liquid Flow, Fluid Mechanics +18

Molecular dynamics with coupling to an external bath

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Vibronic Interaction, Thermodynamic Modelling, Engineering +13

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Development and Testing of the OPLS All-Atom Force Field on Conformational Energetics and Properties of Organic Liquids

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Computer Simulation Using Particles

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