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"Molecular electrostatics and pKa shifts calculations with the Generalized ..."

Miguel A. Soler et al. (2023)

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DOI: 10.1016/J.CPC.2023.108716

access: open

type: Journal Article

metadata version: 2023-11-01

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  - journals/cphysics/SolerOHGEF23
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  - https://dblp.org/rec/journals/cphysics/SolerOHGEF23
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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