Automated preparation of nanoscopic structures Graph-based sequence analysis, mismatch detection, and pH-consistent protonation with uncertainty estimates

Automated preparation of nanoscopic structures : Graph-based sequence analysis, mismatch detection, and pH-consistent protonation with uncertainty estimates

© 2023 The Authors. Journal of Computational Chemistry published by Wiley Periodicals LLC.

Détails bibliographiques
Publié dans:Journal of computational chemistry. - 1984. - 45(2024), 11 vom: 30. Apr., Seite 761-776
Auteur principal: Csizi, Katja-Sophia (Auteur)
Autres auteurs: Reiher, Markus
Format: Article en ligne
Langue:English
Publié: 2024
Accès à la collection:Journal of computational chemistry
Sujets:Journal Article Gaussian process atomistic simulation machine learning protein structure
Accès en ligne Volltext