LEADS-FRAG: A Benchmark Data Set for Assessment of Fragment Docking Performance-Reference-Cited by-同舟云学术

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LEADS-FRAG: A Benchmark Data Set for Assessment of Fragment Docking Performance

Published:2020-12-08 Issue:12 Volume:60 Page:6544-6554
ISSN:1549-9596
Container-title:Journal of Chemical Information and Modeling
language:en
Short-container-title:J. Chem. Inf. Model.

Author:

Chachulski Laura¹²^ORCID,Windshügel Björn¹³^ORCID

Affiliation:

1. Fraunhofer Institute for Molecular Biology and Applied Ecology IME, ScreeningPort, Hamburg 22525, Germany

2. Jacobs University Bremen gGmbH, Bremen 28759, Germany

3. Institute for Biochemistry and Molecular Biology, Department of Chemistry, Universität Hamburg, Hamburg 20146, Germany

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.0c00693

Reference49 articles.

1. Twenty years on: the impact of fragments on drug discovery

2. Discovery and Pharmacological Characterization of JNJ-42756493 (Erdafitinib), a Functionally Selective Small-Molecule FGFR Family Inhibitor

3. A bright future for fragment-based drug discovery: what does it hold?

4. How Size Matters: Diversity for Fragment Library Design

5. Fragment Informatics and Computational Fragment-Based Drug Design: An Overview and Update

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4. Target-Focused Library Design by Pocket-Applied Computer Vision and Fragment Deep Generative Linking;Journal of Medicinal Chemistry;2022-10-18

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