Getting Docking into Shape Using Negative Image-Based Rescoring-Reference-Cited by-同舟云学术

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Getting Docking into Shape Using Negative Image-Based Rescoring

Published:2019-07-10 Issue:8 Volume:59 Page:3584-3599
ISSN:1549-9596
Container-title:Journal of Chemical Information and Modeling
language:en
Short-container-title:J. Chem. Inf. Model.

Author:

Kurkinen Sami T.¹,Lätti Sakari¹,Pentikäinen Olli T.¹²^ORCID,Postila Pekka A.³^ORCID

Affiliation:

1. Institute of Biomedicine, Kiinamyllynkatu 10, Integrative Physiology and Pharmacy, University of Turku, FI-20520 Turku, Finland

2. Aurlide Ltd., FI-21420 Lieto, Finland

3. Department of Biological and Environmental Science, University of Jyvaskyla, P.O. Box 35, FI-40014 Jyvaskyla, Finland

Funder

Turun Yliopisto

Suomen Kulttuurirahasto

Publisher

American Chemical Society (ACS)

Subject

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

Link

http://pubs.acs.org/doi/pdf/10.1021/acs.jcim.9b00383

Reference95 articles.

1. Molecular Docking: A Powerful Approach for Structure-Based Drug Discovery

2. Software for molecular docking: a review

3. In silico pharmacology for drug discovery: methods for virtual ligand screening and profiling

4. Docking, virtual high throughput screening and in silico fragment-based drug design

5. Docking and scoring in virtual screening for drug discovery: methods and applications

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1. Building shape-focused pharmacophore models for effective docking screening;Journal of Cheminformatics;2024-08-09

2. PheSA: An Open-Source Tool for Pharmacophore-Enhanced Shape Alignment;Journal of Chemical Information and Modeling;2024-08-02

3. To Bind or Not to Bind? A Comprehensive Characterization of TIR1 and Auxins Using Consensus In Silico Approaches;Computation;2024-05-09

4. ChemFlow_py: a flexible toolkit for docking and rescoring;Journal of Computer-Aided Molecular Design;2023-08-24

5. ChemFlow_py: A Flexible Toolkit for Docking and Rescoring;2023-06-13

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