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High-throughput Virtual Screening Web Service Development for SARS-CoV-2 Drug Design
U: MIPRO. IEEE, 2020. str. 389-394. urn:nbn:hr:195:269271
Miletić, Vedran; Ašenbrener Katić, Martina; Svedružić, Željko

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Miletić, V., Ašenbrener Katić, M. i Svedružić, Ž. (2020). High-throughput Virtual Screening Web Service Development for SARS-CoV-2 Drug Design. MIPRO (str. 389-394). IEEE. Preuzeto s https://urn.nsk.hr/urn:nbn:hr:195:269271

Miletić, Vedran, et al. "High-throughput Virtual Screening Web Service Development for SARS-CoV-2 Drug Design." MIPRO, IEEE, 2020, str. 389-394. https://urn.nsk.hr/urn:nbn:hr:195:269271

Miletić, Vedran, Martina Ašenbrener Katić i Željko Svedružić. "High-throughput Virtual Screening Web Service Development for SARS-CoV-2 Drug Design." U MIPRO, 389-394. IEEE, 2020. Citirano 14.11.2024.. https://urn.nsk.hr/urn:nbn:hr:195:269271

Miletić, V., Ašenbrener Katić, M. i Svedružić, Ž. (2020) 'High-throughput Virtual Screening Web Service Development for SARS-CoV-2 Drug Design', MIPRO, IEEE, str. 389-394. Preuzeto s: https://urn.nsk.hr/urn:nbn:hr:195:269271 (Datum pristupa: 14.11.2024.)

Miletić V, Ašenbrener Katić M, Svedružić Ž. High-throughput Virtual Screening Web Service Development for SARS-CoV-2 Drug Design. MIPRO. IEEE; 2020. Str. 389-394. [pristupljeno 14.11.2024.] Dostupno na: https://urn.nsk.hr/urn:nbn:hr:195:269271

V. Miletić, M. Ašenbrener Katić i Ž. Svedružić, "High-throughput Virtual Screening Web Service Development for SARS-CoV-2 Drug Design", MIPRO IEEE, 2020. [Online] Dostupno na: https://urn.nsk.hr/urn:nbn:hr:195:269271 [Citirano: 14.11.2024.]

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Podaci o radu
Naslov (engleski)High-throughput Virtual Screening Web Service Development for SARS-CoV-2 Drug Design
AutorVedran Miletić
MBZ: 316216
AutorMartina Ašenbrener Katić
MBZ: 331261
AutorŽeljko Svedružić
MBZ: 324713
Autorova ustanovaSveučilište u Rijeci
(Fakultet informatike i digitalnih tehnologija)
Autorova ustanovaSveučilište u Rijeci
(Fakultet biotehnologije i razvoja lijekova)
Znanstveno / umjetničko
područje, polje i grana		TEHNIČKE ZNANOSTI
Računarstvo
Znanstveno / umjetničko
područje, polje i grana		DRUŠTVENE ZNANOSTI
Informacijske i komunikacijske znanosti
Znanstveno / umjetničko
područje, polje i grana		INTERDISCIPLINARNA PODRUČJA ZNANOSTI
Biotehnologija u biomedicini (prirodno područje, biomedicina i zdravstvo, biotehničko područje)
Sažetak (engleski)
The available structures of viral proteins and RNA molecules related to SARS-CoV-2 are used to screen and design a new set of drugs using the commercial databases and molecular docking protocols. The selected molecules are then studied further using molecular dynamics. Based on our earlier experiences we can target proteases, enzymes in DNA and RNA metabolism, and protein—protein interactions. In this paper we describe the planned research and development efforts for efficient screening and design of new drugs. Prior to the screening campaign, we will develop new open-source computational infrastructure, with two major outcomes. A new database containing all commercially available small-molecule ligands will be developed. A docking server with a web-based user interface will be developed and interfaced with the compound database. The docking server will use the database for sourcing of the molecules for the high-throughput virtual screening. Our approach offers major advantages that can bypass the problems that have traditionally plagued the pharmaceutical industry: our protocols are faster, cheaper, versatile, and offer minimal risks. We are developing new drugs using commercial databases, which allows us to buy the lead compounds for affordable prices that can bypass expensive and slow organic synthesis protocols.
Ključne riječi (engleski)
Jezikengleski
Vrsta publikacijeZnanstveni rad - Izvorni znanstveni rad
Status objaveObjavljen
Vrsta recenzijeRecenziran - međunarodna recenzija
Verzija publikacijeZavršna verzija rukopisa prihvaćena za objavljivanje (postprint)
Naslov zbornikaMIPRO
Brojčani podacistr. 389-394
URN:NBNurn:nbn:hr:195:269271
Datum objave publikacije2020
SkupNaziv: MIPRO
Lokacija: Opatija, Hrvatska
Datum početka: 2020-09-28
Datum završetka: 2022-10-02
Vrsta izlaganja: Predavanje
URL dokumentahttp://bib.irb.hr/1085088
Vrsta resursaTekst
IzdavačIEEE
Prava pristupaOtvoreni pristup
Uvjeti korištenjaIkona licence Zaštićeno autorskim pravom.
Datum i vrijeme pohrane2022-12-16 16:26:09