226 citations · 695 across the 31 of their papers we have counts for
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cond-mat.soft2018★ 39 cited
Optimal coarse-grained site selection in elastic network models of biomolecules
Patrick Diggins, Changjiang Liu, Markus Deserno +1
Elastic network models, simple structure-based representations of biomolecules where atoms interact via short-range harmonic potentials, provide great insight into a molecule's int…
cond-mat.soft2018
Spatially Resolved Thermodynamic Integration: An Efficient Method to Compute Chemical Potentials of Dense Fluids
Maziar Heidari, Kurt Kremer, Robinson Cortes-Huerto +1
Many popular methods for the calculation of chemical potentials rely on the insertion of test particles into the target system. In the case of liquids and liquid mixtures, this pro…