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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.

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  1. GromacsWrapper GromacsWrapper Public

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

    Python 185 54

  2. kda kda Public

    Python package used for the analysis of biochemical kinetic diagrams.

    Python 5 1

  3. MDPOW MDPOW Public

    Calculation of water/solvent partition coefficients with Gromacs.

    Python 29 10

  4. zarrtraj zarrtraj Public

    zarrtraj MDAKit for @MDAnalysis

    Jupyter Notebook 9 2

  5. imdclient imdclient Public

    Streaming analysis from running MD simulations.

    Python 10 2

  6. basicrta basicrta Public

    Bayesian nonparametric inference of ligand binding kinetics from molecular dynamics simulations.

    Python 1 2

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