KiSSim: Predicting Off-Targets from Structural Similarities in the Kinome-Reference-Cited by-同舟云学术

KiSSim: Predicting Off-Targets from Structural Similarities in the Kinome

Published:2022-05-10 Issue:10 Volume:62 Page:2600-2616
ISSN:1549-9596
Container-title:Journal of Chemical Information and Modeling
language:en
Short-container-title:J. Chem. Inf. Model.

Author:

Sydow Dominique¹^ORCID,Aßmann Eva¹^ORCID,Kooistra Albert J.²^ORCID,Rippmann Friedrich³^ORCID,Volkamer Andrea¹^ORCID

Affiliation:

1. In Silico Toxicology and Structural Bioinformatics, Institute of Physiology, Charité−Universitätsmedizin Berlin, corporate member of Freie Universität Berlin and Humboldt-Universität zu Berlin, Augustenburger Platz 1, 13353 Berlin, Germany

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

3. Computational Chemistry & Biologics, Merck Healthcare KGaA, Frankfurter Str. 250, 64293 Darmstadt, Germany

Funder

Bundesministerium f?r Bildung und Forschung

Deutsche Forschungsgemeinschaft

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.2c00050

Reference81 articles.

1. Kinase Drug Discovery – What’s Next in the Field?

2. A comprehensive map of molecular drug targets

3. Kinase drug discovery 20 years after imatinib: progress and future directions

4. Selectively Nonselective Kinase Inhibition: Striking the Right Balance

5. KLIFS: A Knowledge-Based Structural Database To Navigate Kinase–Ligand Interaction Space

Cited by 5 articles. 订阅此论文施引文献订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. Exploring drug repositioning possibilities of kinase inhibitors via molecular simulation**;Molecular Informatics;2024-06-21

2. Death by a thousand cuts through kinase inhibitor combinations that maximize selectivity and enable rational multitargeting;eLife;2023-12-04

3. Investigating the conformational landscape of AlphaFold2-predicted protein kinase structures;Bioinformatics Advances;2023-01-01

4. EasyCellType: marker-based cell-type annotation by automatically querying multiple databases;Bioinformatics Advances;2023-01-01

5. Investigating the conformational landscape of AlphaFold2-predicted protein kinase structures;2022-12-03