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Molecular simulation of thermodynamics in liquid mixtures : a mean-field approach
Published 2012Subjects: “…Molecular dynamics -- Computer simulation…”
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A computational framework for parallelised protein folding simulation and the investigation of protein stability
Published 2025Subjects: “…Molecular dynamics -- Computer simulation…”
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On the computational modelling of prolyl–peptide cis–trans Isomerisation: benchmarking DFT approaches with N–acetylproline methylamide
Published 2025Subjects: “…Molecular dynamics -- Computer simulation…”
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