Emulating Docking Results Using a Deep Neural Network: A New Perspective for Virtual Screening-Reference-Cited by-同舟云学术

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Emulating Docking Results Using a Deep Neural Network: A New Perspective for Virtual Screening

Published:2020-08-31 Issue:9 Volume:60 Page:4246-4262
ISSN:1549-9596
Container-title:Journal of Chemical Information and Modeling
language:en
Short-container-title:J. Chem. Inf. Model.

Author:

Jastrzębski Stanisław¹,Szymczak Maciej¹,Pocha Agnieszka¹,Mordalski Stefan²³,Tabor Jacek¹,Bojarski Andrzej J.³^ORCID,Podlewska Sabina³⁴^ORCID

Affiliation:

1. Faculty of Mathematics and Computer Science, Jagiellonian University, 6 Łojasiewicza Street, 30-348 Kraków, Poland

2. Department of Drug Design and Pharmacology, University of Copenhagen, Universitetsparken 2, 2100 Copenhagen, Denmark

3. Maj Institute of Pharmacology, Polish Academy of Sciences, 12 Smętna Street, 31-343 Kraków, Poland

4. Department of Technology and Biotechnology of Drugs, Jagiellonian University Medical College, 9 Medyczna Street, 30-688 Kraków, Poland

Funder

Narodowe Centrum Nauki

Fundacja na rzecz Nauki Polskiej

Publisher

American Chemical Society (ACS)

Subject

Library and Information Sciences,Computer Science Applications,General Chemical Engineering,General Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jcim.9b01202

Reference107 articles.

1. Computational Methods in Drug Discovery

2. In silico research in drug discovery

3. Computational approaches in target identification and drug discovery

4. Virtual Screening in Drug Discovery - A Computational Perspective

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