Diogo Santos‐Martins
Scripps Research Institute(US)
Publications by Year
Research Areas
Computational Drug Discovery Methods, Protein Structure and Dynamics, Machine Learning in Materials Science, HIV Research and Treatment, HIV/AIDS drug development and treatment
Most-Cited Works
- → AutoDock Vina 1.2.0: New Docking Methods, Expanded Force Field, and Python Bindings(2021)6,008 cited
- → Accelerating A uto D ock 4 with GPUs and Gradient-Based Local Search(2021)359 cited
- → Cholesterol Biosynthesis: A Mechanistic Overview(2016)349 cited
- → AutoDock4Zn: An Improved AutoDock Force Field for Small-Molecule Docking to Zinc Metalloproteins(2014)287 cited
- → SuFEx-enabled, agnostic discovery of covalent inhibitors of human neutrophil elastase(2019)188 cited
- → Supercomputer-Based Ensemble Docking Drug Discovery Pipeline with Application to Covid-19(2020)187 cited
- → Receptor-based virtual screening protocol for drug discovery(2015)144 cited
- → Structural basis for strand-transfer inhibitor binding to HIV intasomes(2020)107 cited
- → Enzymatic Flexibility and Reaction Rate: A QM/MM Study of HIV-1 Protease(2015)85 cited