Author

M. E. Irrgang

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Biology Disciplines

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Biophysics· 1

Signature Assays, Organisms & Methods

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Approach:experimental assay· 1 Research Focus:software / tool· 1

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J. M. Hays· 1 shared P. M. Kasson· 1 shared

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2018-2018 · peak 1/yr

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1 shared paperBiophysics

J. M. Hays

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1 paper

Recent·Most cited

BiophysicsbioRxivApr 22, 2018

gmxapi: a high-level interface for advanced control and extension of molecular dynamics simulations

M. E. Irrgang, J. M. Hays, P. M. Kasson

The paper introduces a Python API for GROMACS that enables custom potential functions and efficient simulation ensembles without modifying the core code.

DOI 10.1093/bioinformatics/bty484

experimental assaysoftware / tool

𝕏 PostBluesky