Condensation of Force Field Parameters from Machine Learning Predicted Distributions for High-Throughput Virtual Screening Applications

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. Journal of Chemical Information and Computer Sciences, 65(23):12834-12845, 2025. [doi]

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