A Multiscale Coarse-Graining Method for Biomolecular Systems

• MiMiCPy-FM: A User-Friendly Force Matching Tool for Extending the Time Scale of QM/MM MD MiMiC Simulations

  2026 Journal of Chemical Information and Modeling article Physics and Astronomy Advanced Chemical Physics Studies Open access

  0

  citations
• 33 Unresolved Questions in Nanoscience and Nanotechnology

  2025 ACS Nano article Engineering Nanotechnology research and applications Open access

  57

  citations
• CGCompiler: Automated Coarse-Grained Molecule Parametrization via Noise-Resistant Mixed-Variable Optimization

  2023 Journal of Chemical Theory and Computation article Chemistry Advanced Physical and Chemical Molecular Interactions Open access

  17

  citations
• CGCompiler: Automated coarse-grained molecule parameterization via noise-resistant mixed-variable optimization

  2023 ChemRxiv preprint Chemistry Advanced Physical and Chemical Molecular Interactions Open access

  1

  citations
• Rational Design Yields Molecular Insights on Leaf-Binding of Anchor Peptides

  2022 ACS Applied Materials & Interfaces article Materials Science Polymer Surface Interaction Studies

  20

  citations
• Rational design yields molecular insights on leaf binding of the anchor peptide Macaque Histatin

  2022 bioRxiv (Cold Spring Harbor Laboratory) preprint Materials Science Polymer Surface Interaction Studies Open access

  2

  citations
• Unfolding the prospects of computational (bio)materials modeling

  2020 The Journal of Chemical Physics article Decision Sciences Scientific Computing and Data Management Open access

  10

  citations

7 results