The DOI matches its Crossref record; 164 of the 164 references it cites were found in a registry or an index.
Bridging Molecular Docking to Molecular Dynamics in Exploring Ligand-Protein Recognition Process: An Overview
Open accessAbstract
Computational techniques have been applied in the drug discovery pipeline since the 1980s. Given the low computational resources of the time, the first molecular modeling strategies relied on a rigid view of the ligand-target binding process. During the years, the evolution of hardware technologies has gradually allowed simulating the dynamic nature of the binding event. In this work, we present an overview of the evolution of structure-based drug discovery techniques in the study of ligand-target recognition phenomenon, going from the static molecular docking toward enhanced molecular dynamics strategies.
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Cited by
Molecular Docking: Shifting Paradigms in Drug Discovery
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Molecular Dynamics Simulations in Drug Discovery and Pharmaceutical Development
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Recent advances in green synthesized nanoparticles: from production to application
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In Silico Modeling and Scoring of PROTAC-Mediated Ternary Complex Poses
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Benchmarking compound activity prediction for real-world drug discovery applications
(2024) · doi:10.1038/s42004-024-01204-4 · Cited by 34
Metadata
- Authors
- Salmaso, V., & Moro, S.
- Venue
- Frontiers in Pharmacology
- Publisher
- Frontiers Media SA
- Published
- 2018-08-22
- Volume
- 9
- Pages
- 923-923
- ISSN
- 1663-9812 (ISSN-L)
- OpenAlex
- W2888400067
- Cited by
- 666
- References
- 164
- FWCI
- 34.09
- Type
- journal article
- Language
- en
- Open access
- gold
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- Salmaso, V., & Moro, S. (2018). Bridging Molecular Docking to Molecular Dynamics in Exploring Ligand-Protein Recognition Process: An Overview. Frontiers in Pharmacology. https://doi.org/10.3389/fphar.2018.00923
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