Accurate sampling using Langevin dynamics

• Prospective Evaluation of Structure-Based Simulations Reveal Their Ability to Predict the Impact of Kinase Mutations on Inhibitor Binding

  2025 The Journal of Physical Chemistry B article Computer Science Computational Drug Discovery Methods Open access

  12

  citations
• The significance of lipid membrane curvature and lipid order for nano-C60 uptake

  2025 Nanoscale article Biochemistry, Genetics and Molecular Biology Lipid Membrane Structure and Behavior Open access

  1

  citations
• Prospective evaluation of structure-based simulations reveal their ability to predict the impact of kinase mutations on inhibitor binding

  2024 bioRxiv (Cold Spring Harbor Laboratory) preprint Computer Science Computational Drug Discovery Methods Open access

  3

  citations
• A Core-Shell Approach for Systematically Coarsening Nanoparticle–Membrane Interactions: Application to Silver Nanoparticles

  2022 Nanomaterials article Materials Science Nanoparticles: synthesis and applications Open access

  6

  citations
• A systematic core-shell approach for coarsening nanoparticle-membrane interactions: application to silver nanoparticles

  2022 ChemRxiv preprint Materials Science Nanoparticles: synthesis and applications Open access

  0

  citations

5 results