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Publications by Stefano Forli

Computational Protein–ligand Docking and Virtual Drug Screening With the AutoDock Suite

Nature Protocols
BiochemistryGeneticsMolecular Biology
2016English

Virtual Screening With AutoDock Vina and the Common Pharmacophore Engine of a Low Diversity Library of Fragments and Hits Against the Three Allosteric Sites of HIV Integrase: Participation in the SAMPL4 Protein–ligand Binding Challenge

Journal of Computer-Aided Molecular Design
Theoretical ChemistryDrug DiscoveryComputer Science ApplicationsPhysical
2014English

Flap-Site Fragment Restores Back Wild-Type Behaviour in Resistant Form of HIV Protease

Molecular Informatics
Organic ChemistryDrug DiscoveryComputer Science ApplicationsMolecular MedicineStructural Biology
2018English

Charting Hydrogen Bond Anisotropy

2019English

Comparison of Ligand Affinity Ranking Using AutoDock-GPU and MM-GBSA Scores in the D3R Grand Challenge 4

2019English

An Activity-Guided Map of Electrophile-Cysteine Interactions in Primary Human Immune Cells

2019English

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