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Title:Conserved water networks identification for drug design using density clustering approaches on positional and orientational data
Authors:ID Tošović, Jelena (Author)
ID Fijan, Domagoj (Author)
ID Jukič, Marko (Author)
ID Bren, Urban (Author)
Files:.pdf tosovic-et-al-2022-conserved-water-networks-identification-for-drug-design-using-density-clustering-approaches-on.pdf (9,65 MB)
MD5: 0BA620969052691465B75DE615E5FFE7
 
URL https://pubs.acs.org/doi/10.1021/acs.jcim.2c00801
 
Language:English
Work type:Article
Typology:1.01 - Original Scientific Article
Organization:FKKT - Faculty of Chemistry and Chemical Engineering
Keywords:cluster chemistry, hydrogen, ligands, molecules, oxygen
Publication status:Published
Publication version:Version of Record
Submitted for review:30.06.2022
Publication date:09.11.2022
Publisher:ACS Publications (American Chemical Society)
Year of publishing:2022
Number of pages:str. 6105-6117
Numbering:Vol. 62, no. 23
PID:20.500.12556/DKUM-88163 New window
UDC:547
ISSN on article:1549-9596
COBISS.SI-ID:128908291 New window
DOI:10.1021/acs.jcim.2c00801 New window
Copyright:© 2022 The Authors.
Publication date in DKUM:10.04.2024
Views:382
Downloads:48
Metadata:XML DC-XML DC-RDF
Categories:Misc.
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Record is a part of a journal

Title:Journal of chemical information and modeling
Shortened title:J. chem. inf. mod.
Publisher:American Chemical Society
ISSN:1549-9596
COBISS.SI-ID:26533125 New window

Document is financed by a project

Funder:ARIS - Slovenian Research and Innovation Agency
Project number:P2-0046-2019
Name:Separacijski procesi in produktna tehnika

Funder:ARIS - Slovenian Research and Innovation Agency
Project number:P1-0403-2019
Name:Računsko intenzivni kompleksni sistemi

Funder:ARIS - Slovenian Research and Innovation Agency
Project number:J1-2471-2020
Name:Kemijska karcinogeneza: Mehanistični vpogled

Funder:ARIS - Slovenian Research and Innovation Agency
Project number:J1-1715-2019
Name:Atlas proteinskih interakcij za napovedovanje genskih variacij povezanih z interakcijami z zdravili in razvojem bolezni

Funder:ARIS - Slovenian Research and Innovation Agency
Project number:L2-3175-2021
Name:Napredna ekstrakcija in formulacija funkcionalnih taninskih prahranskih dopolnil z blagodejnimi zdravstvenimi učinki

Funder:ARIS - Slovenian Research and Innovation Agency
Project number:P2-0438-2022
Name:Optični kemijski/bio senzorski sistemi (OPTISENS)

Funder:ARIS - Slovenian Research and Innovation Agency
Project number:J1-4398-2022
Name:Kemijska karcinogeneza in nevrodegeneracija: Molekularni mehanizem vpliva mikrovalovnega sevanja

Funder:ARIS - Slovenian Research and Innovation Agency
Project number:L2-4430-2022
Name:Proizvodnja, izolacija in formulacija zdravju koristnih substanc iz Helichrysum Italicum za uporabo v kozmetični industriji

Funder:ARIS - Slovenian Research and Innovation Agency
Project number:J3-4498-2022
Name:Multi-omska raziskava signalne poti NFkB pri multipli sklerozi

Funder:ARIS - Slovenian Research and Innovation Agency
Project number:J7-4638-2022
Name:Načrtovanje selektivnih katalitskih postopkov pretvorbe CO2 v etanol – UliSess

Funder:ARIS - Slovenian Research and Innovation Agency
Project number:J1-4414-2022
Name:ProBiS-Fold pristop za določanje vezavnih mest za celoten strukturni človeški proteom pri odkrivanju zdravil

Funder:ARIS - Slovenian Research and Innovation Agency
Project number:J3-4497-2022
Name:Neinvazivni multi-omski biooznačevalci v podtipih imunskih celic za personalizirano zdravljenje otroške astme in molekularni mehanizmi neodzivnosti na inhalacijske kortikosteroide

Funder:ARIS - Slovenian Research and Innovation Agency
Project number:Z4-2654-2020
Name:Potencialne nove učinkovine kot rezultat izkoriščanja znanih naravnih polifenolov s številnimi ugodnimi zdravstvenimi učinki

Funder:Other - Other funder or multiple funders
Funding programme:HPC RIVR consortium (University of Maribor)

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 grozdov, molekule, kisik


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