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Nicolai Kozlowski

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#protein folding Open access Sep 2026

Combining CHARMM36m with OPC water improves accuracy

Atomistic simulations of intrinsically disordered proteins (IDPs) are notoriously sensitive to force field inaccuracies, either regarding the protein or the water model, yielding inaccurate observables such as compactness, secondary structure propensities, or kinetics. The currently most widely used IDP force fields ar...

Nicolai Kozlowski, Gábor Nagy, Crystal F. Ottoway et al. · 0 citations

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