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@Becksteinlab

Becksteinlab

Computational Biophysics at Arizona State University

Beckstein Lab at Arizona State University 👋

The Beckstein Lab is part of the Center for Biological Physics and the Department of Physics at Arizona State University. It is headed by Oliver Beckstein.

The lab uses computational approaches such as molecular dynamics simulations in order to understand the function of biomolecules, in particular membrane proteins, at the molecular level.

Our work belongs to the area of computational biophysics. We aim to quantitatively predict the function and activity of proteins from the knowledge of their structures alone and so to better understand biological phenomena at the molecular level, in particular transmembrane transport processess catalyzed by membrane proteins such as secondary active transporters and ion channels. This works contributes to the fields of structural biology, physiology, nanobiotechnology as well as ultimately to the development of new drugs.

Pinned

  1. GromacsWrapper GromacsWrapper Public

    GromacsWrapper wraps system calls to GROMACS tools into thin Python classes (GROMACS 4.6.5 - 2024 supported).

    Python 165 52

  2. MDPOW MDPOW Public

    Calculation of water/solvent partition coefficients with Gromacs.

    Python 23 10

  3. kda kda Public

    Python package used for the analysis of biochemical kinetic diagrams.

    Python 3 1

  4. multibind multibind Public

    A Python package for building thermodynamically consistent state graphs.

    Python 4 1

Repositories

Showing 10 of 60 repositories
  • kda Public

    Python package used for the analysis of biochemical kinetic diagrams.

    Becksteinlab/kda’s past year of commit activity
    Python 3 GPL-3.0 1 23 (3 issues need help) 1 Updated Jun 19, 2024
  • GromacsWrapper Public

    GromacsWrapper wraps system calls to GROMACS tools into thin Python classes (GROMACS 4.6.5 - 2024 supported).

    Becksteinlab/GromacsWrapper’s past year of commit activity
    Python 165 GPL-3.0 52 12 1 Updated Jun 17, 2024
  • Becksteinlab/imdreader’s past year of commit activity
    Python 1 GPL-2.0 0 3 0 Updated Jun 16, 2024
  • zarrtraj Public

    zarrtraj MDAKit for @MDAnalysis

    Becksteinlab/zarrtraj’s past year of commit activity
    Jupyter Notebook 3 GPL-2.0 1 11 0 Updated Jun 15, 2024
  • numkit Public

    Numerical first aid kit (with numpy/scipy).

    Becksteinlab/numkit’s past year of commit activity
    Python 2 2 1 0 Updated Jun 14, 2024
  • basicrta Public
    Becksteinlab/basicrta’s past year of commit activity
    Python 0 GPL-3.0 0 0 0 Updated Jun 10, 2024
  • propkatraj Public

    pKa estimates for proteins using an ensemble approach

    Becksteinlab/propkatraj’s past year of commit activity
    Python 25 GPL-2.0 7 4 1 Updated May 8, 2024
  • kda-examples Public

    Kinetic Diagram Analysis Examples

    Becksteinlab/kda-examples’s past year of commit activity
    Jupyter Notebook 0 GPL-3.0 0 1 0 Updated Apr 7, 2024
  • napalib Public
    Becksteinlab/napalib’s past year of commit activity
    Python 0 GPL-3.0 0 1 0 Updated Mar 28, 2024
  • pandas-example Public Forked from l-repa/pandas-example

    jupyter notebook with some basic pandas examples

    Becksteinlab/pandas-example’s past year of commit activity
    Jupyter Notebook 0 1 0 0 Updated Mar 11, 2024

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