Author

Chenggong Hui

Max Planck SocietyORCID 0000-0003-2875-4739Unclaimed ORCID profile · follow to get notified of new preprints

Biology Disciplines

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Approach:deep learning· 1 Organism:multiple species· 1 Research Focus:protein folding & dynamics· 1 Approach:statistical model· 1

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Bert L. de GrootiD· 1 shared Reinier de VriesiD· 1 shared Wojciech KopećiD· 1 shared

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2025-2025 · peak 1/yr

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Bert L. de GrootORCID

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1 paper

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Effective Polarization in Potassium Channel Simulations: Ion Conductance, Occupancy, Voltage Response, and Selectivity

Chenggong Hui, Reinier de Vries, Wojciech Kopeć, Bert L. de Groot

This paper improves molecular dynamics simulations of potassium channels by incorporating polarization effects, achieving accurate predictions of conductance, ion occupancy, voltage response, and selectivity.

Proceedings of the National Academy of Sciences · May 20, 2025Peer-reviewedBiophysics