2023
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Molecular mechanism of regulating protein condensation by Hero protein
2021
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Molecular mechanism of Calcium ion transport across biomembrane
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How do drugs work in a crowded environment inside cells?
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Glycans are crucial in COVID-19 infection
2019
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Encounter complexes and hidden poses of kinase-inhibitor binding on the free-energy landscape
2018
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Acceleration of biomolecular structure modeling from cryo-EM
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Linking time-series of single-molecule experiments with molecular dynamics simulations by machine learning
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Characterization of Conformational Ensembles of Protonated N-glycans in the Gas-Phase
2016
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All-atom molecular dynamics simulations of bacterial cytoplasmic system
2015
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Development of the MD program “GENESIS” to realize cellar scale simulations
