Pubblicazioni

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.

Quaternary structure transitions of human hemoglobin. An atomic-level view of the functional intermediate states

2021 - JOURNAL OF CHEMICAL INFORMATION AND MODELING
Balasco, N.; Alba, J.; D'Abramo, M.; Vitagliano, L.

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