CHARMM : A program for macromolecular energy, minimization, and dynamics calculations

• Residue-Position-Dependent Modulation of Urethanase Activity for Polyurethane Depolymerization

  2026 ACS Catalysis article Biochemistry, Genetics and Molecular Biology Enzyme Catalysis and Immobilization

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  citations
• DNET: A Graph-Based Tool and Workflow for Dynamic Hydrogen-Bond Networks and Applications for Visual Rhodopsins

  2026 Journal of Chemical Theory and Computation article Biochemistry, Genetics and Molecular Biology Receptor Mechanisms and Signaling

  3

  citations
• Target Bioconjugation of Protein Through Chemical, Molecular Dynamics, and Artificial Intelligence Approaches

  2024 Metabolites article Chemistry Click Chemistry and Applications Open access

  1

  citations
• Hydrogen-Bonding and Hydrophobic Interaction Networks as Structural Determinants of Microbial Rhodopsin Function

  2024 The Journal of Physical Chemistry B article Neuroscience Photoreceptor and optogenetics research

  8

  citations
• Enhancing the population of the encounter complex affects protein complex formation efficiency

  2021 FEBS Journal article Biochemistry, Genetics and Molecular Biology Protein Structure and Dynamics Open access

  0

  citations
• The Charge Distribution on a Protein Surface Determines Whether Productive or Futile Encounter Complexes Are Formed

  2021 Biochemistry article Biochemistry, Genetics and Molecular Biology Protein Structure and Dynamics Open access

  12

  citations
• Fast dereplication of xanthine oxidase-inhibiting compounds in alfalfa using comparative metabolomics

  2021 Food Research International article Medicine Gout, Hyperuricemia, Uric Acid

  27

  citations
• Molecular simulations of IDPs: From ensemble generation to IDP interactions leading to disorder-to-order transitions

  2021 Progress in molecular biology and translational science book-chapter Biochemistry, Genetics and Molecular Biology Protein Structure and Dynamics

  27

  citations

8 results