The DOI matches its Crossref record; 204 of the 209 references it cites were found in a registry or an index.
Towards the development of universal, fast and highly accurate docking/scoring methods: a long way to go
Open accessAbstract
Accelerating the drug discovery process requires predictive computational protocols capable of reducing or simplifying the synthetic and/or combinatorial challenge. Docking-based virtual screening methods have been developed and successfully applied to a number of pharmaceutical targets. In this review, we first present the current status of docking and scoring methods, with exhaustive lists of these. We next discuss reported comparative studies, outlining criteria for their interpretation. In the final section, we describe some of the remaining developments that would potentially lead to a universally applicable docking/scoring method.
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“The CS strategy could overcome to some extent the limitations faced by the single-scoring approach, for example, the inconsistent performances across different protein targets and chemical classes (Moitessier et al., 2009).”
From Empirical scoring functions for structure-based virtual screening: applications, critical aspects, and challenges (2018) · cites this paper as Moitessier et al., 2009
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Items 201–204 of 204
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Molecular Docking: A Powerful Approach for Structure-Based Drug Discovery
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Metadata
- Authors
- Moitessier, N., Englebienne, P., Lee, D., Lawandi, J., & Corbeil, C. R.
- Affiliations
- McGill University (CA)
- Corresponding author
- Moitessier, N
- Venue
- British Journal of Pharmacology
- Publisher
- Wiley
- Published
- 2008-03
- Volume
- 153
- Issue
- S1
- Pages
- S7-26
- ISSN
- 0007-1188 (ISSN-L)
- 1476-5381
- PMC
- PMC2268060
- OpenAlex
- W2135817448
- Cited by
- 514
- References
- 209
- Citations by year
- 2026: 8 · 2025: 11 · 2024: 14 · 2023: 19 · 2022: 24 · 2021: 24 · 2020: 16 · 2019: 18 · 2018: 18 · 2017: 26 · 2016: 30 · 2015: 38 · 2014: 34 · 2013: 37 · 2012: 43
- FWCI
- 2.26
- Type
- journal article
- Language
- en
- Open access
- bronze
- doi.org
- Locations
- British Journal of Pharmacology (publishedVersion)
- PubMed Central (publishedVersion)
- PubMed (publishedVersion)
- Funders
- Canadian Institutes of Health Research
- Natural Sciences and Engineering Research Council of Canada
- Topics
- Life Sciences › Pharmacology, Toxicology and Pharmaceutics › Drug Discovery › Computational Drug Discovery Methods
- Health Sciences › Medicine › Pharmacology (medical) › Cholinesterase and Neurodegenerative Diseases
- Life Sciences › Biochemistry, Genetics and Molecular Biology › Molecular Biology › vaccines and immunoinformatics approaches
- Keywords
- molecular docking, scoring functions, virtual screening, drug discovery, binding affinity prediction, therapeutic target
- MeSH terms
- Algorithms, Animals, Artificial Intelligence, Computer Simulation, Drug Evaluation, Preclinical, Humans, Metals, Models, Molecular, Molecular Conformation, Nucleic Acids, Proteins, Stochastic Processes, Reproducibility of Results
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