Israel Cabeza de Vaca

机构：Uppsala University, Science for Life Laboratory · ORCID：0000-0002-6208-1091

发表论文 28 篇 · 总被引 2538 次 · h-index 14

代表论文

• LigParGen web server: an automatic OPLS-AA parameter generator for organic ligands (2017 · Nucleic Acids Research · 被引 1748)
• Identification of 14 Known Drugs as Inhibitors of the Main Protease of SARS-CoV-2 (2020 · ACS Medicinal Chemistry Letters · 被引 222)
• Rapid traversal of vast chemical space using machine learning-guided docking screens (2025 · Nature Computational Science · 被引 69)
• AlphaFold accelerated discovery of psychotropic agonists targeting the trace amine–associated receptor 1 (2024 · Science Advances · 被引 55)
• Enhanced Monte Carlo Methods for Modeling Proteins Including Computation of Absolute Free Energies of Binding (2018 · Journal of Chemical Theory and Computation · 被引 49)
• Conformational Response to Ligand Binding in Phosphomannomutase2 (2014 · Journal of Biological Chemistry · 被引 43)