Israel Cabeza de Vaca

Identification of 14 Known Drugs as Inhibitors of the Main Protease of SARS-CoV-2

Mohammad Mehdi Ghahremanpour, Julian Tirado‐Rives, M.G. Deshmukh et al. · ACS Medicinal Chemistry Letters · 2020 · 218 citations · Full text

Enhanced Monte Carlo Methods for Modeling Proteins Including Computation of Absolute Free Energies of Binding

Israel Cabeza de Vaca, Yue Qian, Jonah Z. Vilseck et al. · Journal of Chemical Theory and Computation · 2018 · 50 citations · Full text

Engineering, Molecular Biology, Computational Chemistry +16

AlphaFold accelerated discovery of psychotropic agonists targeting the trace amine–associated receptor 1

Alejandro Díaz‐Holguín, Marcus Saarinen, Duc Duy Vo et al. · Science Advances · 2024 · 42 citations · Full text

Artificial Intelligence, Drug Target, Engineering +19

Conformational Response to Ligand Binding in Phosphomannomutase2

Giuseppina Andreotti, Israel Cabeza de Vaca, Angelita Poziello et al. · Journal of Biological Chemistry · 2014 · 41 citations · Full text

Rapid traversal of vast chemical space using machine learning-guided docking screens

Andreas Luttens, Israel Cabeza de Vaca, Leonard Sparring et al. · Nature Computational Science · 2025 · 39 citations · Full text