Martín, Helena

Are Deep Learning Structural Models Sufficiently Accurate for Virtual Screening? Application of Docking Algorithms to AlphaFold2 Predicted Structures

Díaz-Rovira, A. M., Martín, H., Beuming, T., Díaz, L., Guallar, V., & Ray, S. S. (2022) · Journal of Chemical Information and Modeling

Computational Drug Discovery MethodsProtein Structure and Dynamics

Cited by 95

Are Deep Learning Structural Models Sufficiently Accurate for Free Energy Calculations? Application of FEP+ to AlphaFold2 Predicted Structures

Beuming, T., Martín, H., Díaz-Rovira, A. M., Díaz, L., Guallar, V., & Ray, S. S. (2022) · Journal of Chemical Information and Modeling

Computational Drug Discovery MethodsProtein Structure and Dynamics

Cited by 61

Are Deep Learning Structural Models Sufficiently Accurate for Free-Energy Calculations? Application of FEP+ to AlphaFold2-Predicted Structures

Beuming, T., Martín, H., Díaz-Rovira, A. M., Díaz, L., Guallar, V., & Ray, S. S. (2022) · Journal of Chemical Information and Modeling

Computational Drug Discovery MethodsProtein Structure and Dynamics

Cited by 61