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"Molecular electrostatics and pKa shifts calculations with the Generalized ..."
Miguel A. Soler et al. (2023)
- Miguel A. Soler, Ozge Ozkilinc, Yamanappa Hunashal, Paolo Giannozzi, Gennaro Esposito, Federico Fogolari:
Molecular electrostatics and pKa shifts calculations with the Generalized Born model. A tutorial through examples with Bluues2. Comput. Phys. Commun. 287: 108716 (2023)
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