The DOI matches its Crossref record; 76 of the 76 references it cites were found in a registry or an index.
The Light and Dark Sides of Virtual Screening: What Is There to Know?
Open accessAbstract
Virtual screening consists of using computational tools to predict potentially bioactive compounds from files containing large libraries of small molecules. Virtual screening is becoming increasingly popular in the field of drug discovery as in silico techniques are continuously being developed, improved, and made available. As most of these techniques are easy to use, both private and public organizations apply virtual screening methodologies to save resources in the laboratory. However, it is often the case that the techniques implemented in virtual screening workflows are restricted to those that the research team knows. Moreover, although the software is often easy to use, each methodology has a series of drawbacks that should be avoided so that false results or artifacts are not produced. Here, we review the most common methodologies used in virtual screening workflows in order to both introduce the inexperienced researcher to new methodologies and advise the experienced researcher on how to prevent common mistakes and the improper usage of virtual screening methodologies.
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Cites
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Cited by
The Art and Science of Molecular Docking
Paggi, J. M., Pandit, A., & Dror, R. O. (2024) · Annual Review of Biochemistry · doi:10.1146/annurev-biochem-030222-120000 · Cited by 459
Myostatin and its Regulation: A Comprehensive Review of Myostatin Inhibiting Strategies
Baig, M. H., Ahmad, K., Moon, J. S., Park, S.-Y., Ho Lim, J., Chun, H. J., Qadri, A. F., Hwang, Y. C., Jan, A. T., Ahmad, S. S., et al. (2022) · Frontiers in Physiology · doi:10.3389/fphys.2022.876078 · Cited by 135
Metadata
- Authors
- Gimeno, A., Ojeda-Montes, M. J., Tomás-Hernández, S., Cereto-Massagué, A., Beltrán-Debón, R., Mulero, M., Pujadas, G., & Garcia-Vallvé, S.
- Venue
- International Journal of Molecular Sciences
- Publisher
- MDPI AG
- Published
- 2019-03-19
- Volume
- 20
- Issue
- 6
- Pages
- 1375
- ISSN
- 1422-0067 (ISSN-L)
- OpenAlex
- W2921262115
- Cited by
- 267
- References
- 76
- FWCI
- 18.83
- Type
- journal article
- Language
- en
- Open access
- gold
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- Gimeno, A., Ojeda-Montes, M. J., Tomás-Hernández, S., Cereto-Massagué, A., Beltrán-Debón, R., Mulero, M., Pujadas, G., & Garcia-Vallvé, S. (2019). The Light and Dark Sides of Virtual Screening: What Is There to Know? International Journal of Molecular Sciences. https://doi.org/10.3390/ijms20061375
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Contains information from the Semantic Scholar Academic Graph Datasets, made available under the ODC Attribution License (ODC-BY 1.0).
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