Hydrolysis of chemically distinct sites of human serum albumin by polyoxometalate: A hybrid QM/MM (ONIOM) study.

QM/MM (ONIOM) method human serum albumin peptide hydrolysis polyoxometalates reaction mechanism

Journal

Journal of computational chemistry
ISSN: 1096-987X
Titre abrégé: J Comput Chem
Pays: United States
ID NLM: 9878362

Informations de publication

Date de publication:
05 01 2019
Historique:
received: 28 05 2018
revised: 22 06 2018
accepted: 23 06 2018
pubmed: 22 9 2018
medline: 2 6 2020
entrez: 22 9 2018
Statut: ppublish

Résumé

In this study, mechanisms of hydrolysis of all four chemically diverse cleavage sites of human serum albumin (HSA) by [Zr(OH)(PW

Identifiants

pubmed: 30238478
doi: 10.1002/jcc.25528
doi:

Substances chimiques

Tungsten Compounds 0
polyoxometalate I 0
Serum Albumin, Human ZIF514RVZR

Types de publication

Journal Article Research Support, U.S. Gov't, Non-P.H.S.

Langues

eng

Sous-ensembles de citation

IM

Pagination

51-61

Informations de copyright

© 2018 Wiley Periodicals, Inc.

Auteurs

Vindi M Jayasinghe-Arachchige (VM)

Department of Chemistry, University of Miami, Coral Gables, Florida 33146.

Qiaoyu Hu (Q)

Department of Chemistry, University of Miami, Coral Gables, Florida 33146.

Gaurav Sharma (G)

Department of Chemistry, University of Miami, Coral Gables, Florida 33146.

Thomas J Paul (TJ)

Department of Chemistry, University of Miami, Coral Gables, Florida 33146.

Marcus Lundberg (M)

Department of Chemistry - Ångström Laboratory, Uppsala University, 751 21, Uppsala, Sweden.

David Quinonero (D)

Department of Chemistry, Universitat de les Illes Balears, Palma de Mallorca, Spain.

Tatjana N Parac-Vogt (TN)

Department of Chemistry, KU Leuven, 3001, Leuven, Belgium.

Rajeev Prabhakar (R)

Department of Chemistry, University of Miami, Coral Gables, Florida 33146.

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Classifications MeSH