Concepedia

Molecular Docking: Principles, Advances, and Its Applications in DrugDiscovery

Muhammed Tılahun Muhammed, Esin Aki

Letters in Drug Design & Discovery · 2022 · 234 citations · 92 references

DOI

Concepts

References

92

AutoDock4 and AutoDockTools4: Automated docking with selective receptor flexibility

Garrett M. Morris, Ruth Huey, William Lindstrom et al. · Journal of Computational Chemistry · 2009 · 25K citations · Full text

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Glide:  A New Approach for Rapid, Accurate Docking and Scoring. 1. Method and Assessment of Docking Accuracy

Richard A. Friesner, Jay L. Banks, Robert B. Murphy et al. · Journal of Medicinal Chemistry · 2004 · 9.9K citations

, , +17

PubChem 2019 update: improved access to chemical data

Sunghwan Kim, Jie Chen, Tiejun Cheng et al. · Nucleic Acids Research · 2018 · 3.4K citations · Full text

, , +13

ZINC 15 – Ligand Discovery for Everyone

Teague Sterling, John J. Irwin · Journal of Chemical Information and Modeling · 2015 · 3.4K citations · Full text

, , +13

Improved protein–ligand docking using GOLD

Marcel L. Verdonk, Jason C. Cole, Michael J. Hartshorn et al. · Proteins Structure Function and Bioinformatics · 2003 · 3K citations · Full text

, , +17