"Are Deep Learning Structural Models Sufficiently Accurate for Free-Energy ..."

Thijs Beuming et al. (2022)

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DOI: 10.1021/ACS.JCIM.2C00796

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type: Journal Article

metadata version: 2024-08-04

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Thijs Beuming, Helena Martín, Anna M. Díaz-Rovira, Lucía Díaz, Victor Guallar, Soumya S. Ray:
Are Deep Learning Structural Models Sufficiently Accurate for Free-Energy Calculations? Application of FEP+ to AlphaFold2-Predicted Structures. J. Chem. Inf. Model. 62(18): 4351-4360 (2022)

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