Distribution of Bound Conformations in Conformational Ensembles for X-ray Ligands Predicted by the ANI-2X Machine Learning Potential

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Fengyang Han, Dongxiao Hao, Xibing He, Luxuan Wang, Taoyu Niu, Junmei Wang

Published: 01 Jan 2023, Last Modified: 21 Jan 2025J. Chem. Inf. Model. 2023EveryoneRevisionsBibTeXCC BY-SA 4.0