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Thioredoxin is a protein that has been used as model system by various computational methods to predict the pKa of aspartate residue Asp26 which is 3.5 units higher than a solvent exposed one (e.g Asp20). Here, we use extensive atomistic molecular dy
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::7b270660f37061dbd6dea0489095e2e2
https://doi.org/10.26434/chemrxiv.7233152.v2
https://doi.org/10.26434/chemrxiv.7233152.v2
