The aqueous environment as an active participant in the protein folding process.


Journal

Journal of molecular graphics & modelling
ISSN: 1873-4243
Titre abrégé: J Mol Graph Model
Pays: United States
ID NLM: 9716237

Informations de publication

Date de publication:
03 2019
Historique:
received: 12 08 2018
revised: 05 12 2018
accepted: 12 12 2018
pubmed: 24 12 2018
medline: 15 2 2020
entrez: 24 12 2018
Statut: ppublish

Résumé

Existing computational models applied in the protein structure prediction process do not sufficiently account for the presence of the aqueous solvent. The solvent is usually represented by a predetermined number of H

Identifiants

pubmed: 30580160
pii: S1093-3263(18)30605-3
doi: 10.1016/j.jmgm.2018.12.008
pii:
doi:

Substances chimiques

Proteins 0
Solutions 0

Types de publication

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

Langues

eng

Sous-ensembles de citation

IM

Pagination

227-239

Informations de copyright

Copyright © 2018 The Authors. Published by Elsevier Inc. All rights reserved.

Auteurs

Małgorzata Gadzała (M)

ACK Cyfronet AGH, Nawojki 11, 30-950, Kraków, Poland.

Dawid Dułak (D)

ABB Business Services Sp. z o.o. ul. Żegańska 1, 04-713, Warszawa, Poland. Electronic address: dawid.dulak@gmail.com.

Barbara Kalinowska (B)

Faculty of Physics, Astronomy and Applied Computer Science, Jagiellonian University, 11 Łojasiewicza Street, Kraków, Poland; Department of Bioinformatics and Telemedicine, Jagiellonian University - Medical College, Łazarza 16, 31-530, Kraków, Poland.

Zbigniew Baster (Z)

Department of Molecular and Interfacial Biophysics, Faculty of Physics, Astronomy, Applied Computer Science Jagiellonian University, 11 Łojasiewicza Street, Kraków, Poland; Markey Cancer Center, University of Kentucky, 789 South Limestone Street, Lexington, KY, USA.

Michał Bryliński (M)

Department of Biological Sciences, Louisiana State University, Baton Rouge, LA, 70803, USA; Center for Computation & Technology, Louisiana State University, Baton Rouge, LA, 70803, USA.

Leszek Konieczny (L)

Chair of Medical Biochemistry, Jagiellonian University - Medical College, Kopernika 7E, 31-034, Kraków, Poland.

Mateusz Banach (M)

Department of Bioinformatics and Telemedicine, Jagiellonian University - Medical College, Łazarza 16, 31-530, Kraków, Poland.

Irena Roterman (I)

Department of Bioinformatics and Telemedicine, Jagiellonian University - Medical College, Łazarza 16, 31-530, Kraków, Poland. Electronic address: myroterm@cyf-kr.edu.pl.

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Classifications MeSH