Article
ChemRxiv  (2018)

pKa Calculations of Asp26 in Thioredoxin with Alchemical Free Energy Simulations and Hirshfeld-I Atomic Charges

Aharon Gomez Llanos, Esteban Vöhringer-Martinez

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Título de la Revista: ChemRxiv
Fecha de publicación: 2018
DOI/URL:

https=>//chemrxiv.org/articles/pKa_Calculations_of_Asp26_in_Thioredoxin_with_Alchemical_Free_Energy_Simulations_and_Hirshfeld-I_Atomic_Charges/7233152