Force Fields for Protein Simulations

• MiMiC: A high-performance framework for multiscale molecular dynamics simulations

  2024 The Journal of Chemical Physics article Physics and Astronomy Advanced Chemical Physics Studies Open access

  12

  citations
• Free energies at QM accuracy from force fields via multimap targeted estimation

  2023 Proceedings of the National Academy of Sciences article Computer Science Computational Drug Discovery Methods Open access

  19

  citations
• Multimap targeted free energy estimation

  2023 arXiv (Cornell University) preprint Computer Science Computational Drug Discovery Methods Open access

  3

  citations
• 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

  10

  citations
• Understanding and Controlling Food Protein Structure and Function in Foods: Perspectives from Experiments and Computer Simulations

  2020 Annual Review of Food Science and Technology review Agricultural and Biological Sciences Proteins in Food Systems Open access

  55

  citations

5 results