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DOE OSTI · code-108926

pnnl/PTMPSI

Abstract

PTM-Psi is a Python 3 package that combines several capabilities to streamline the workflow to interrogate the impact of PTMs on proteins using well-established software packages. The workflow of the PTM-Psi software package includes input files and launch instances from standard packages such as AlphaFold, NWChem, GROMACS, and the Autodock Suite

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BibTeXRIS

Mejia-Rodriguez, Daniel, Central, PNNL Developer, Cheung, Margaret, Kim, Hoshin, Valiev, Marat. 2023-07-03. pnnl/PTMPSI. https://doi.org/10.11578/dc.20230703.1

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