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acnash/README.md
  • ๐Ÿ‘‹ I am a senior computational chemist, theoretical biophysicist, software engineer, and clinical epidemiologist.
  • ๐Ÿ‘€ Iโ€™m interested in modelling protein folding using Molecular Dynamics, particularly metalloproteases, fibril tissues of the human extracellular matrix, and membrane proteins. I am also interested in the drug discovery epidemiology of real-world electronic healthcare records.
  • ๐ŸŒฑ Iโ€™m currently Neural Network Potential Molecular Dynamics
  • ๐Ÿ’ž๏ธ I want to collaborate on transmembrane protein modelling using next-generation Molecular Dynamics.

Pinned Loading

  1. SoftMachine SoftMachine Public

    Python

  2. CPRD_Additional_Clinical CPRD_Additional_Clinical Public

    R scripts and information concerning the retrieval of patient additional clinical data.

    R 2 1

  3. RDrugTrajectory RDrugTrajectory Public

    An R package designed for CPRD prescription electronic healthcare records.

    R 9 3

  4. R_for_ORCA R_for_ORCA Public

    R code used to visualise spectra from the ORCA output file.

    R 2

  5. MMP1 MMP1 Public

    Structure and parameter data for simulations of MMP1.

  6. PSystems PSystems Public

    Code and movie files of myxobacteria movement modelled using P-System methodologies.