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      <title>On the computational modelling of prolyl–peptide cis–trans Isomerisation: benchmarking DFT approaches with N–acetylproline methylamide</title>
      <pubDate>Wed, 10 Jun 2026 12:45:22 +0000</pubDate>
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      <author>Lategan, Francois Adriaan</author>
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      <dc:date>2025</dc:date>
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      <title>Molecular simulation of thermodynamics in liquid mixtures : a mean-field approach</title>
      <pubDate>Wed, 10 Jun 2026 12:42:57 +0000</pubDate>
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      <author>Saayman, Nelis</author>
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      <dc:date>2012</dc:date>
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      <title>A computational framework for parallelised protein folding simulation and the investigation of protein stability</title>
      <pubDate>Wed, 10 Jun 2026 12:42:04 +0000</pubDate>
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      <author>Koh, Tammara Poa Siang</author>
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