Quantum Computer Simulation of Protein Protonation.

Computer Simulation Hydrogen-Ion Concentration Proteins

Journal

Journal of chemical theory and computation
ISSN: 1549-9626
Titre abrégé: J Chem Theory Comput
Pays: United States
ID NLM: 101232704

Informations de publication

Date de publication:
12 Sep 2023
Historique:
medline: 13 9 2023
pubmed: 9 8 2023
entrez: 9 8 2023
Statut: ppublish

Résumé

In attempts to simulate the protonation of proteins, a major challenge is that the number of protonation states grows rapidly as a function (2

Identifiants

DOI: 10.1021/acs.jctc.3c00606 PMID: 37555728
pubmed: 37555728
doi: 10.1021/acs.jctc.3c00606
doi:

Substances chimiques

Proteins 0

Types de publication

Journal Article

Langues

eng

Sous-ensembles de citation

IM

Pagination

5671-5676

Auteurs

Hao Hu (H)

Department of Biochemistry and Biophysics, University of North Carolina at Chapel Hill, Chapel Hill, North Carolina 27599, United States.
Polaris Quantum Biotech Inc., Suite 205, 201 W Main St., Durham, North Carolina 27701, United States.
ORCID: 0000-0002-6831-8352

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Classifications MeSH

Recherchemedicale.com › Sciences de l'information › Méthodologies informatiques › Simulation numérique › Quantum Computer Simulation of Protein Protonation.
Recherchemedicale.com › Phénomènes chimiques › Concentration en ions d'hydrogène › Quantum Computer Simulation of Protein Protonation.
Recherchemedicale.com › Acides aminés, peptides et protéines › Protéines › Quantum Computer Simulation of Protein Protonation.