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Electrical properties
Equivalence of Charge Imbalance and External Electric Fields during Free Energy Calculations of Membrane Electroporation
Electric fields across lipid membranes play important roles in physiology, medicine, and biotechnology, rationalizing the wide interest …
Gari Kasparyan
,
Jochen Hub
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DOI
bioRxiv
Force Field Benchmark of Organic Liquids: Density, Enthalpy of Vaporization, Heat Capacities, Surface Tension, Isothermal Compressibility, Volumetric Expansion Coefficient, and Dielectric Constant
The chemical composition of small organic molecules is often very similar to amino acid side chains or the bases in nucleic acids, and …
Carl Caleman
,
Paul J. van Maaren
,
Minyan Hong
,
Jochen Hub
,
Luciano T. Costa
,
David van der Spoel
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DOI
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