Building Water Models: A Different Approach

• Flexibility of the TRMT10C N-Terminal Domain Helix Explored by Molecular Dynamics Simulations

  2026 The Journal of Physical Chemistry B article Biochemistry, Genetics and Molecular Biology Protein Structure and Dynamics Open access

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  citations
• Disease-Associated Mutations Impact DNA Methyltransferase 1 Function through Dynamic Allosteric Effects and Solvent Exposure

  2026 Journal of Chemical Theory and Computation article Biochemistry, Genetics and Molecular Biology Protein Structure and Dynamics Open access

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• Binding pose depth modulates photoswitchable ligands’ efficacy at the 5-HT2A receptor

  2026 Communications Chemistry article Biochemistry, Genetics and Molecular Biology Receptor Mechanisms and Signaling Open access

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  citations
• Binding pose depth modulates photoswitchable ligands’ efficacy at the 5-HT2A receptor

  2026 Communications Chemistry article Biochemistry, Genetics and Molecular Biology Receptor Mechanisms and Signaling Open access

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• Influence of ionic liquids on enzymatic asymmetric carboligations

  2025 bioRxiv (Cold Spring Harbor Laboratory) preprint Biochemistry, Genetics and Molecular Biology Enzyme Catalysis and Immobilization Open access

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• Influence of ionic liquids on enzymatic asymmetric carboligations

  2025 Computational and Structural Biotechnology Journal article Biochemistry, Genetics and Molecular Biology Enzyme Catalysis and Immobilization Open access

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• Loading and co-solvent-triggered release of okanin, a C4 plant key enzyme inhibitor, into/from functional microgels

  2023 Chemical Engineering Journal article Engineering Polymer-Based Agricultural Enhancements Open access

  4

  citations
• Cumulative Millisecond-Long Sampling for a Comprehensive Energetic Evaluation of Aqueous Ionic Liquid Effects on Amino Acid Interactions

  2022 Journal of Chemical Information and Modeling article Biochemistry, Genetics and Molecular Biology Protein Structure and Dynamics

  3

  citations
• Loading and Co-Solvent-Triggered Release of Okanin into/from Functional Microgels for Potential Plant Protection

  2022 ChemRxiv preprint Engineering Polymer-Based Agricultural Enhancements Open access

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• Aqueous ionic liquids redistribute local enzyme stability via long-range perturbation pathways

  2021 Computational and Structural Biotechnology Journal article Biochemistry, Genetics and Molecular Biology Enzyme Catalysis and Immobilization Open access

  21

  citations
• Cumulative Submillisecond All-Atom Simulations of the Temperature-Induced Coil-to-Globule Transition of Poly( N -vinylcaprolactam) in Aqueous Solution

  2020 Macromolecules article Chemistry Advanced Physical and Chemical Molecular Interactions

  8

  citations

11 results