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"Automated preparation of nanoscopic structures: Graph-based sequence ..."

Katja-Sophia Csizi, Markus Reiher (2023)

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DOI: 10.1002/JCC.27276

access: closed

type: Journal Article

metadata version: 2024-04-08

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Katja-Sophia Csizi, Markus Reiher:
Automated preparation of nanoscopic structures: Graph-based sequence analysis, mismatch detection, and pH-consistent protonation with uncertainty estimates. J. Comput. Chem. 45(11): 761-776 (2023)

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