International Journal of Molecular Sciences· 2019Q1· Review
Molecular Docking: Shifting Paradigms in Drug Discovery
- 2,276citations
- Q1SCImago
- 2019year
Short summary
Molecular docking, a computational method predicting ligand-target interactions, has evolved beyond its initial use in identifying novel therapeutic compounds to now include predicting adverse effects, polypharmacology, drug repurposing, and target fishing.
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Computational Theory and MathematicsComputer Science