Israel Cabeza de Vaca
Uppsala University(SE)Science for Life Laboratory(SE)
Publications by Year
Research Areas
Protein Structure and Dynamics, Computational Drug Discovery Methods, Enzyme Structure and Function, DNA and Nucleic Acid Chemistry, Data Mining Algorithms and Applications
Most-Cited Works
- → LigParGen web server: an automatic OPLS-AA parameter generator for organic ligands(2017)1,600 cited
- → Identification of 14 Known Drugs as Inhibitors of the Main Protease of SARS-CoV-2(2020)220 cited
- → Enhanced Monte Carlo Methods for Modeling Proteins Including Computation of Absolute Free Energies of Binding(2018)50 cited
- → AlphaFold accelerated discovery of psychotropic agonists targeting the trace amine–associated receptor 1(2024)45 cited
- → Rapid traversal of vast chemical space using machine learning-guided docking screens(2025)42 cited
- → Conformational Response to Ligand Binding in Phosphomannomutase2(2014)41 cited
- → Porphyrin Binding to Gun4 Protein, Facilitated by a Flexible Loop, Controls Metabolite Flow through the Chlorophyll Biosynthetic Pathway(2015)34 cited
- → Tryptogalinin Is a Tick Kunitz Serine Protease Inhibitor with a Unique Intrinsic Disorder(2013)34 cited
- → Computation of protein–ligand binding free energies using quantum mechanical bespoke force fields(2019)31 cited
- → Absolute Free Energy of Binding Calculations for Macrophage Migration Inhibitory Factor in Complex with a Druglike Inhibitor(2019)30 cited