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Papers matching “protein-ligand docking” 5

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Enhanced Sampling Approach to the Induced-Fit Docking Problem in Protein–Ligand Binding: The Case of Mono-ADP-Ribosylation Hydrolase Inhibitors
2021 Journal of Chemical Theory and Computation article Computer Science Computational Drug Discovery Methods Open access

Qianqian Zhao, Riccardo Capelli, Paolo Carloni, Bernhard Lüscher, Jinyu Li, Giulia Rossetti

28

citations
MetalDock: An Open Access Docking Tool for Easy and Reproducible Docking of Metal Complexes
2023 Journal of Chemical Information and Modeling article Computer Science Computational Drug Discovery Methods Open access

Matthijs L. A. Hakkennes, Francesco Buda, Sylvestre A. Bonnet

44

citations
MetalDock: an open access docking tool for easy and reproducible docking of metal complexes
2023 ChemRxiv preprint Computer Science Computational Drug Discovery Methods Open access

Matthijs L. A. Hakkennes, Francesco Buda, Sylvestre A. Bonnet

1

citations
Glycine Max Oil Derivatives: Green Synthesis, Molecular Docking, and MD Simulations for Prediction of Their Antimicrobial Drug‐ability
2026 ChemistrySelect article Computer Science Computational Drug Discovery Methods

Sandeep Kanawade, Anjali Gupta, Fahmina Zafar, Mohd Shahbaaz, Anujit Ghosal

0

citations
Binding of Androgen- and Estrogen-Like Flavonoids to Their Cognate (Non)Nuclear Receptors: A Comparison by Computational Prediction
2021 Molecules article Computer Science Computational Drug Discovery Methods Open access

Giulia D’Arrigo, Eleonora Gianquinto, Giulia Rossetti, Gabriele Cruciani, Stefano Lorenzetti, Francesca Spyrakis

52

citations

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