Lucía Díaz

According to our database, Lucía Díaz authored at least 4 papers between 2011 and 2023.

Collaborative distances:

• Dijkstra number of five.
• Erdős number of five.

2023

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

Anna M. Díaz-Rovira, Helena Martín, Thijs Beuming, Lucía Díaz, Victor Guallar, Soumya S. Ray

J. Chem. Inf. Model., March, 2023

Optimizing Drug Design by Merging Generative AI With Active Learning Frameworks.

Isaac Filella-Merce, Alexis Molina, Marek Orzechowski, Lucía Díaz, Yang Ming Zhu, Julia Vilalta Mor, Laura Malo, Ajay S. Yekkirala, Soumya S. Ray, Victor Guallar

CoRR, 2023

2022

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

Thijs Beuming, Helena Martín, Anna M. Díaz-Rovira, Lucía Díaz, Victor Guallar, Soumya S. Ray

J. Chem. Inf. Model., 2022

2011

Computational Prediction of Structure-Activity Relationships for the Binding of Aminocyclitols to β-Glucocerebrosidase.

Lucía Díaz, Jordi Bujons, Antonio Delgado, Hugo Gutiérrez-de-Terán, Johan Åqvist

J. Chem. Inf. Model., 2011