2019
DOI: 10.1002/2211-5463.12731
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Evaluating the strengths of salt bridges in the CutA1 protein using molecular dynamic simulations: a comparison of different force fields

Abstract: Ion–ion interactions (salt bridges) between favorable pairs of charged residues are important for the conformational stability of proteins. Molecular dynamic (MD) simulations are useful for elucidating the interactions among charged residues fluctuating in solution. However, the quality of MD results depends strongly on the force fields used. In this study, we compared the strengths of salt bridges among force fields by performing MD simulations using the CutA1 protein (trimer) from the hyperthermophile Pyroco… Show more

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“…Since its inception in November 2011, FEBS Open Bio has been under the helm of Mary Purton as Executive Editor, who has guided the journal to maturity and great success. FEBS Open Bio has recently published its 1000 th article , and submissions to the journal continue to grow at a tremendous pace. To meet the ever‐increasing demands of operating the journal, FEBS has decided to divide the Executive Editor position into two separate roles, appointing me as Editor‐in‐Chief and hiring a full‐time Editorial Manager.…”
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“…Since its inception in November 2011, FEBS Open Bio has been under the helm of Mary Purton as Executive Editor, who has guided the journal to maturity and great success. FEBS Open Bio has recently published its 1000 th article , and submissions to the journal continue to grow at a tremendous pace. To meet the ever‐increasing demands of operating the journal, FEBS has decided to divide the Executive Editor position into two separate roles, appointing me as Editor‐in‐Chief and hiring a full‐time Editorial Manager.…”
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confidence: 99%