VINCENT
BLAY ROGER
INVEST CONT VALi+d
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University of Edinburgh
Edimburgo, Reino UnidoUniversity of Edinburgh-ko ikertzaileekin lankidetzan egindako argitalpenak (5)
2024
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AutoDock-SS: AutoDock for Multiconformational Ligand-Based Virtual Screening
Journal of Chemical Information and Modeling, Vol. 64, Núm. 9, pp. 3779-3789
2023
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From intuition to AI: evolution of small molecule representations in drug discovery
Briefings in bioinformatics, Vol. 25, Núm. 1
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SCORCH: Improving structure-based virtual screening with machine learning classifiers, data augmentation, and uncertainty estimation
Journal of Advanced Research, Vol. 46, pp. 135-147
2022
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Comparison of ATP-binding pockets and discovery of homologous recombination inhibitors
Bioorganic and Medicinal Chemistry, Vol. 70
2020
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Design of drug-like hepsin inhibitors against prostate cancer and kidney stones
Acta Pharmaceutica Sinica B, Vol. 10, Núm. 7, pp. 1309-1320