Repositories list

• Documentation

  Public
  0•0•0•0•Updated Dec 16, 2024Dec 16, 2024

• ChemComm_10.1039-D4CC04415K

  Public
  A place to store initial structure and parameter files for the simulations used in the carbohydrate hydration analysis paper published 2024 in Chemical Communications.

  0•0•0•0•Updated Dec 2, 2024Dec 2, 2024

• CTRW_Project

  Public
  Everything done related to the CTRW paper

  Python

  •0•0•0•0•Updated Mar 19, 2024Mar 19, 2024

• Cysteine_ProtonationState

  Public
  1•0•0•0•Updated Jan 30, 2024Jan 30, 2024

• ELECTRIC

  Public
  ELECTRIC: Electric fields Leveraged from multipole Expansion Calculations in Tinker Rapid Interface Code.

  Arc

  •

  BSD 3-Clause "New" or "Revised" License

  •4•7•1•2•Updated Jan 12, 2024Jan 12, 2024

• Zheng_JPCB_10.1021.acs.jpcb.2c00765

  Public
  0•0•0•1•Updated Dec 21, 2023Dec 21, 2023

• Efield-analysis

  Public
  Jupyter Notebook

  •

  MIT License

  •0•0•0•0•Updated Dec 16, 2023Dec 16, 2023

• Chem6624_MDproject

  Public
  Arc

  •0•0•0•0•Updated Oct 18, 2023Oct 18, 2023

• Lawal_ChemBioChem_101002.cbic.202200097

  Public
  0•0•0•0•Updated Jul 27, 2022Jul 27, 2022