most citedImproved Treatment of 1-4 interactions in Force Fields for Molecular Dynamics Simulations

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physics.chem-ph2025★ 1 cited

Improved Treatment of 1-4 interactions in Force Fields for Molecular Dynamics Simulations

Aalim S. Abdullah, Yingze Wang, Maximilian F. S. J. Menger +2

Traditional force fields commonly use a combination of bonded torsional terms and empirically scaled non-bonded interactions to capture 1-4 energies and forces of atoms separated b…