"Condensation of Force Field Parameters from Machine Learning Predicted ..."

Domenico Bonanni et al. (2025)

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DOI: 10.1021/ACS.JCIM.5C02199

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type: Journal Article

metadata version: 2026-01-04

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Domenico Bonanni, Yuedong Zhang, Davide Gadioli, Gianluca Scarpellini, Pietro Morerio, Alessio Del Bue, Andrea Rosario Beccari, Gianluca Palermo:
Condensation of Force Field Parameters from Machine Learning Predicted Distributions for High-Throughput Virtual Screening Applications. J. Chem. Inf. Model. 65(23): 12834-12845 (2025)

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