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Title: Rescaling of point charges as a way to improve the simple-to-use electrostatic embedding scheme developed to explore enzyme activity with QM-oriented software Authors: ID Kałka, Andrzej J. (Author) ID Novotný, Aleš (Author) ID Stare, Jernej (Author) Files: URL - Source URL, visit https://pubs.acs.org/doi/10.1021/acs.jcim.5c01235   PDF - Presentation file, download (1,40 MB) MD5: 4534B7359783F6F9A5EC7688555AD8CC   Language: English Typology: 1.01 - Original Scientific Article Organization: KI - National Institute of Chemistry Publication status: Published Publication version: Version of Record Publication date: 01.01.2025 Year of publishing: 2025 Number of pages: str. 8653–8663 Numbering: Vol. 65, iss. 16 PID: 20.500.12556/DiRROS-23845  UDC: 54 ISSN on article: 1549-960X DOI: 10.1021/acs.jcim.5c01235  COBISS.SI-ID: 251806211  Copyright: © 2025 The Authors. Published by American Chemical Society Note: Nasl. z nasl. zaslona; Opis vira z dne 6. 10. 2025; Publication date in DiRROS: 10.10.2025 Views: 269 Downloads: 129 Metadata:    Cite this work Plain text BibTeX EndNote XML EndNote/Refer RIS ABNT ACM Ref AMA APA Chicago 17th Author-Date Harvard IEEE ISO 690 MLA Vancouver : Copy citation

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Record is a part of a journal

Title:	Journal of chemical information and modeling
Publisher:	Amrican Chemical Society
ISSN:	1549-960X
COBISS.SI-ID:	3037204

Document is financed by a project

Funder:	ARIS - Slovenian Research and Innovation Agency
Project number:	P1-0012
Name:	Molekulske simulacije, bioinformatika in načrtovanje zdravilnih učinkovin

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Funder:	ARIS - Slovenian Research and Innovation Agency
Project number:	J1-50022
Name:	Encimska kataliza verjetno izvira iz elektrostatike: računska raziskava

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:	kemija, ačunalniško modeliranje, encimske reakcije, elektrostatske interakcije, peptidi, proteini

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