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Title:Developing an implicit solvation machine learning model for molecular simulations of ionic media
Authors:ID Coste, Amaury (Author)
ID Slejko, Ema (Author)
ID Zavadlav, Julija (Author)
ID Praprotnik, Matej (Author)
Files:URL URL - Source URL, visit https://pubs.acs.org/doi/10.1021/acs.jctc.3c00984
 
.pdf PDF - Presentation file, download (3,87 MB)
MD5: BB9B25319D61E4B8FF7C500A5821B991
 
Language:English
Typology:1.01 - Original Scientific Article
Organization:Logo KI - National Institute of Chemistry
Publication status:Published
Publication version:Version of Record
Publisher:American Chemical Society
Year of publishing:2024
Number of pages:str. 411–420
Numbering:[Vol.] 20, iss. 1
PID:20.500.12556/DiRROS-17971 New window
UDC:577
ISSN on article:1549-9626
COBISS.SI-ID:181084163 New window
Copyright:© 2023 The Authors. Published by American Chemical Society
Note:Nasl. z nasl. zaslona; Opis vira z dne 16. 1. 2024;
Publication date in DiRROS:25.01.2024
Views:509
Downloads:225
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Record is a part of a journal

Title:Journal of chemical theory and computation
Shortened title:J. chem. theory comput.
Publisher:American Chemical Society
ISSN:1549-9626
COBISS.SI-ID:3671066 New window

Document is financed by a project

Funder:ARRS - Slovenian Research Agency
Project number:P1-0002
Name:Večskalno modeliranje in simulacija mehke in biološke snovi v in izven ravnovesja

Licences

License:CC BY 4.0, Creative Commons Attribution 4.0 International
Link:http://creativecommons.org/licenses/by/4.0/
Description:This is the standard Creative Commons license that gives others maximum freedom to do what they want with the work as long as they credit the author.

Secondary language

Language:Slovenian
Keywords:biokemija, molekularna dinamika, simulacije, DNK


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