Pubblicazioni

Integrated Approach Including Docking, MD Simulations, and Network Analysis Highlights the Action Mechanism of the Cardiac hERG Activator RPR260243

2023 - JOURNAL OF CHEMICAL INFORMATION AND MODELING
Costa, F.; Ocello, R.; Guardiani, C.; Giacomello, A.; Masetti, M.

MF-PCBA: Multifidelity High-Throughput Screening Benchmarks for Drug Discovery and Machine Learning

2023 - JOURNAL OF CHEMICAL INFORMATION AND MODELING
Buterez, D.; Janet, J. P.; Kiddle, S. J.; Lio, P.

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