Becksteinlab

icon indicating a website link https://becksteinlab.physics.asu.edu icon indicating an email [email protected]

icon location Tempe, AZ icon location Computational Biophysics at Arizona State University

Results 3 repositories owned by Becksteinlab

GromacsWrapper

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GromacsWrapper wraps system calls to GROMACS tools into thin Python classes (GROMACS 4.6.5 - 2023 supported).

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MDPOW

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Calculation of water/solvent partition coefficients with Gromacs.

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propkatraj

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pKa estimates for proteins using an ensemble approach

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