The DOI matches its Crossref record; 144 of the 144 references it cites were found in a registry or an index.
Molecular Docking: Principles, Advances, and Its Applications in Drug Discovery
Abstract
Molecular docking is a structure-based computational method that generates the binding pose and affinity between ligands and targets. There are many powerful docking programs. However, there is no single program that is suitable for every system. Hence, an appropriate program is chosen based on availability, need, and computer capacity. Molecular docking has clear steps that should be followed carefully to get a good result. : Molecular docking has many applications at various stages in drug discovery. Although it has various application areas, it is commonly applied in virtual screening and drug repurposing. As a result, it is playing a substantial role in the endeavor to discover a potent drug against COVID-19. There are also approved drugs in the pharmaceutical market that are developed through the use of molecular docking. As the accessible data is increasing and the method is advancing with the contribution of the latest computational developments, its use in drug discovery is also increasing. : Molecular docking has played a crucial role in making drug discovery faster, cheaper, and more effective. More advances in docking algorithms, integration with other computational methods, and the introduction of new approaches are expected. Thus, more applications that will make drug discovery easier are expected.
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Cites
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Docking and scoring in virtual screening for drug discovery: methods and applications
Kitchen, D. B., Decornez, H., Furr, J. R., & Bajorath, J. (2004) · Nature Reviews Drug Discovery · doi:10.1038/nrd1549 · Cited by 4,150
Molecular Docking: A Powerful Approach for Structure-Based Drug Discovery
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PubChem 2019 update: improved access to chemical data
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ZINC 15 – Ligand Discovery for Everyone
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Improved protein–ligand docking using GOLD
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A Fast Flexible Docking Method using an Incremental Construction Algorithm
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Computational protein–ligand docking and virtual drug screening with the AutoDock suite
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Molecular Docking and Structure-Based Drug Design Strategies
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Metadata
- Authors
- Muhammed, M. T., & Aki-Yalcin, E.
- Venue
- Letters in Drug Design & Discovery
- Publisher
- Elsevier BV
- Published
- 2024-03
- Volume
- 21
- Issue
- 3
- Pages
- 480-495
- ISSN
- 1570-1808 (ISSN-L)
- OpenAlex
- W4296830446
- Cited by
- 267
- References
- 144
- FWCI
- 24.07
- Type
- journal article
- Language
- en
- Open access
- closed
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- Muhammed, M. T., & Aki-Yalcin, E. (2024). Molecular Docking: Principles, Advances, and Its Applications in Drug Discovery. Letters in Drug Design & Discovery. https://doi.org/10.2174/1570180819666220922103109
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Bibliographic data: Semantic Scholar, OpenAlex, Crossref.
Contains information from the Semantic Scholar Academic Graph Datasets, made available under the ODC Attribution License (ODC-BY 1.0).
Semantic Scholar’s data is described in: Kinney, R., et al. (2023). The Semantic Scholar Open Data Platform. arXiv:2301.10140.
