A modified TIP3P water potential for simulation with Ewald summation

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  2026 Journal of Medical Virology article Medicine SARS-CoV-2 and COVID-19 Research Open access

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• From Atoms to Neuronal Spikes: A Multiscale Simulation Framework

  2026 Journal of Chemical Theory and Computation article Biochemistry, Genetics and Molecular Biology Ion channel regulation and function Open access

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• From Atoms to Neuronal Spikes: A Multi-Scale Simulation Framework

  2025 bioRxiv (Cold Spring Harbor Laboratory) preprint Biochemistry, Genetics and Molecular Biology Ion channel regulation and function Open access

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• Computational-Guided Hinge-Region Engineering Unlocks QtPheDH for Synthesizing Bulky Naphthyl Amino Acids

  2025 ACS Sustainable Chemistry & Engineering article Biochemistry, Genetics and Molecular Biology Enzyme Catalysis and Immobilization

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  2023 Journal of Chemical Information and Modeling article Computer Science Computational Drug Discovery Methods Open access

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  2021 The Journal of Physical Chemistry Letters article Medicine SARS-CoV-2 and COVID-19 Research Open access

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• Elucidation of SARS-Cov-2 Budding Mechanisms Through Molecular Dynamics Simulations of M and E Protein Complexes

  2021 bioRxiv (Cold Spring Harbor Laboratory) preprint Medicine SARS-CoV-2 and COVID-19 Research Open access

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  2021 Nature Communications article Medicine Surgical Sutures and Adhesives Open access

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• The Interplay of Cholesterol and Ligand Binding in hTSPO from Classical Molecular Dynamics Simulations

  2021 Molecules article Biochemistry, Genetics and Molecular Biology Lipid Membrane Structure and Behavior Open access

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9 results