Díaz, Lucía

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

Molecular Simulations Meet Personalized Medicine. The Mechanism of Action of ClC-5 Antiporter and the Origin of Dent’s Disease

Macaluso, V., Pérez, C., Soliva, R., Westermaier, Y., Díaz, L., Wieczór, M., & Orozco, M. (2024) · PNAS Nexus

Ion Transport and Channel RegulationIon channel regulation and function

Cited by 1

Molecular simulations meet personalized medicine: The mechanism of action of CLC-5 antiporter and the origin of Dent's disease

Macaluso, V., Pérez, C., Soliva, R., Westermaier, Y., Díaz, L., Wieczór, M., & Orozco, M. (2025) · PNAS Nexus

Ion Transport and Channel RegulationIon channel regulation and function

Cited by 1