Diogo Santos-Martins

Diogo Santos-Martins

Scripps Research Institute - La Jolla / United States
Natural Sciences / Chemical Sciences
AD Scientific Index ID: 4470806
person_outline Diogo Santos-Martins's MOST POPULAR ARTICLES
1-) AutoDock Vina 1.2. 0: New docking methods, expanded force field, and python bindingsJ Eberhardt, D Santos-Martins, AF Tillack, S ForliJournal of Chemical Information and Modeling 61 (8), 3891-3898, 20213072021
2-) Cholesterol biosynthesis: a mechanistic overviewNM Cerqueira, EF Oliveira, DS Gesto, D Santos-Martins, C Moreira, ...Biochemistry 55 (39), 5483-5506, 20162392016
3-) AutoDock4Zn: An Improved AutoDock Force Field for Small-Molecule Docking to Zinc MetalloproteinsD Santos-Martins, S Forli, MJ Ramos, AJ OlsonJournal of chemical information and modeling 54 (8), 2371-2379, 20141982014
4-) Accelerating AutoDock4 with GPUs and Gradient-Based Local SearchD Santos-Martins, L Solis-Vasquez, AF Tillack, MF Sanner, A Koch, S ForliJournal of chemical theory and computation 17 (2), 1060-1073, 20212382021
5-) Supercomputer-based ensemble docking drug discovery pipeline with application to COVID-19A Acharya, R Agarwal, MB Baker, J Baudry, D Bhowmik, S Boehm, ...Journal of chemical information and modeling 60 (12), 5832-5852, 20201742020