Alejandro Díaz‐Holguín
Uppsala University(SE)
Publications by Year
Research Areas
Computational Drug Discovery Methods, Protein Degradation and Inhibitors, Protein Structure and Dynamics, Receptor Mechanisms and Signaling, Drug Transport and Resistance Mechanisms
Most-Cited Works
- → AlphaFold accelerated discovery of psychotropic agonists targeting the trace amine–associated receptor 1(2024)45 cited
- → Exploring the Effect of Halogenation in a Series of Potent and Selective A2B Adenosine Receptor Antagonists(2022)16 cited
- → When Two Become One: Conformational Changes in FXR/RXR Heterodimers Bound to Steroidal Antagonists(2022)12 cited
- → Optimization of 2-Amino-4,6-diarylpyrimidine-5-carbonitriles as Potent and Selective A1 Antagonists(2022)11 cited
- → Combining Data-Driven and Structure-Based Approaches in Designing Dual PARP1-BRD4 Inhibitors for Breast Cancer Treatment(2024)7 cited
- → Identification of bioactive compounds with popular single-atom modifications: Comprehensive analysis and implications for compound design(2024)1 cited
- → Front Cover: When Two Become One: Conformational Changes in FXR/RXR Heterodimers Bound to Steroidal Antagonists (ChemMedChem 4/2023)(2023)
- → QligFEP-2: an automated workflow for small molecule free energy calculations in Q(2025)
- → Doing More with Less: Accurate and Scalable Ligand Free Energy Calculations by Focusing on the Binding Site(2025)