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Title:Enhanced molecular docking: novel algorithm for identifying highest weight k-cliques in weighted general and protein-ligand graphs
Authors:ID Rozman, Kati (Author)
ID Ghysels, An (Author)
ID Zavalnij, Bogdan (Author)
ID Kunej, Tanja (Author)
ID Bren, Urban (Author)
ID Janežič, Dušanka (Author)
ID Konc, Janez (Author)
Files:URL URL - Source URL, visit https://www.sciencedirect.com/science/article/pii/S0022286024001625
 
.pdf PDF - Presentation file, download (3,68 MB)
MD5: 63197BD3D77C21F2C4A8B855D9083A15
 
Language:English
Typology:1.01 - Original Scientific Article
Organization:Logo KI - National Institute of Chemistry
Publication status:Published
Publication version:Version of Record
Publication date:15.05.2024
Publisher:Elsevier
Year of publishing:2024
Number of pages:str. 1-10
Numbering:Vol. 1304, [article no.] 137639
Source:Journal of molecular structure
PID:20.500.12556/DiRROS-18245 New window
UDC:577
ISSN on article:1872-8014
DOI:10.1016/j.molstruc.2024.137639 New window
COBISS.SI-ID:182995715 New window
Copyright:© 2024 The Author(s). Published by Elsevier B.V.
Note:Nasl. z nasl. zaslona; Soavtorji: An Ghysels, Bogdan Zavalnij, Tanja Kunej, Urban Bren, Dušanka Janežič, Janez Konc; Available online 28 January 2024, in press, journal pre-proof; Opis vira z dne 30. 1. 2024;
Publication date in DiRROS:23.02.2024
Views:185
Downloads:66
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Record is a part of a journal

Title:Journal of molecular structure
Publisher:Elsevier
ISSN:1872-8014
COBISS.SI-ID:23076101 New window

Document is financed by a project

Funder:ARRS - Slovenian Research Agency
Project number:N1-0142
Name:COGEVAB: Nova računalniška orodja na molekularni skali za študij vpliva genskih variacij na vezavo zdravil

Funder:ARRS - Slovenian Research Agency
Project number:N1-0209
Name:Orodja za inovativno oblikovanje zdravil

Funder:ARRS - Slovenian Research Agency
Project number:J1-4414
Name:ProBiS-Fold pristop za določanje vezavnih mest za celoten strukturni človeški proteom pri odkrivanju zdravil

Funder:ARRS - Slovenian Research Agency
Project number:J1-1715
Name:Atlas proteinskih interakcij za napovedovanje genskih variacij povezanih z interakcijami z zdravili in razvojem bolezni

Funder:ARRS - Slovenian Research Agency
Project number:L7-8269
Name:Novi pristopi za boljša biološka zdravila

Licences

License:CC BY-NC-ND 4.0, Creative Commons Attribution-NonCommercial-NoDerivatives 4.0 International
Link:http://creativecommons.org/licenses/by-nc-nd/4.0/
Description:The most restrictive Creative Commons license. This only allows people to download and share the work for no commercial gain and for no other purposes.
Licensing start date:24.01.2024
Applies to:Text and Data Mining valid from 2024-05-01 Version of Record valid from 2024-01-24

Secondary language

Language:Slovenian
Keywords:molekularna biologija, bioaktivne sestavine, zdravila, ligandi, vezavna mesta, algoritmi


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