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Nov 9, 2022 - Python
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protonation
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𝛂Charges: A tool for the quick calculation of partial atomic charges for protein structures from AlphaFold DB
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Jan 27, 2025 - Python
Robust simulation software for the comprehensive evaluation of protein electrostatics in unfolded state.
bioinformatics polymer simulation prediction protein biophysics protein-sequence electrostatics protonation
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Updated
Aug 23, 2022 - Python
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