| Protein-ligand docking in the new millennium–a retrospective of 10 years in the field SF Sousa, AJM Ribeiro, JTS Coimbra, RPP Neves, SA Martins, N Moorthy, ... Current medicinal chemistry 20 (18), 2296-2314, 2013 | 302 | 2013 |
| Mechanism and Catalytic Site Atlas (M-CSA): a database of enzyme reaction mechanisms and active sites AJM Ribeiro, GL Holliday, N Furnham, JD Tyzack, K Ferris, JM Thornton Nucleic acids research 46 (D1), D618-D623, 2018 | 205 | 2018 |
| Application of quantum mechanics/molecular mechanics methods in the study of enzymatic reaction mechanisms SF Sousa, AJM Ribeiro, RPP Neves, NF Brás, NM Cerqueira, ... Wiley Interdisciplinary Reviews: Computational Molecular Science 7 (2), e1281, 2017 | 195* | 2017 |
| A global analysis of function and conservation of catalytic residues in enzymes AJM Ribeiro, JD Tyzack, N Borkakoti, GL Holliday, JM Thornton Journal of Biological Chemistry 295 (2), 314-324, 2020 | 114 | 2020 |
| Emerging concepts in pseudoenzyme classification, evolution, and signaling AJM Ribeiro, S Das, N Dawson, R Zaru, S Orchard, JM Thornton, ... Science Signaling 12 (594), eaat9797, 2019 | 91 | 2019 |
| Benchmarking of DFT functionals for the hydrolysis of phosphodiester bonds AJM Ribeiro, MJ Ramos, PA Fernandes Journal of Chemical Theory and Computation 6 (8), 2281-2292, 2010 | 91 | 2010 |
| Enzymatic flexibility and reaction rate: a QM/MM study of HIV-1 protease AJM Ribeiro, D Santos-Martins, N Russo, MJ Ramos, PA Fernandes Acs Catalysis 5 (9), 5617-5626, 2015 | 89 | 2015 |
| PDBe-KB: a community-driven resource for structural and functional annotations M Varadi, J Berrisford, M Deshpande, SS Nair, A Gutmanas, D Armstrong, ... Nucleic Acids Research 48 (D1), D344-D353, 2020 | 84 | 2020 |
| Unique triphenylphosphonium derivatives for enhanced mitochondrial uptake and photodynamic therapy Z Hu, Y Sim, OL Kon, WH Ng, AJM Ribeiro, MJ Ramos, PA Fernandes, ... Bioconjugate Chemistry 28 (2), 590-599, 2017 | 67 | 2017 |
| The catalytic mechanism of HIV-1 integrase for DNA 3′-end processing established by QM/MM calculations AJM Ribeiro, MJ Ramos, PA Fernandes Journal of the American Chemical Society 134 (32), 13436-13447, 2012 | 66 | 2012 |
| The catalytic mechanism of protein phosphatase 5 established by DFT calculations AJM Ribeiro, ME Alberto, MJ Ramos, PA Fernandes, N Russo Chemistry–A European Journal 19 (42), 14081-14089, 2013 | 52 | 2013 |
| Benchmarking of density functionals for the kinetics and thermodynamics of the hydrolysis of glycosidic bonds catalyzed by glycosidases AT Pereira, AJM Ribeiro, PA Fernandes, MJ Ramos International Journal of Quantum Chemistry 117 (18), e25409, 2017 | 40 | 2017 |
| Comparative analysis of the performance of commonly available density functionals in the determination of geometrical parameters for copper complexes SF Sousa, GRP Pinto, AJM Ribeiro, JTS Coimbra, PA Fernandes, ... Journal of Computational Chemistry 34 (24), 2079-2090, 2013 | 40 | 2013 |
| Conformational variation in enzyme catalysis: a structural study on catalytic residues IG Riziotis, AJM Ribeiro, N Borkakoti, JM Thornton Journal of Molecular Biology 434 (7), 167517, 2022 | 36 | 2022 |
| Improving the biodesulfurization of crude oil and derivatives: a qm/mm investigation of the catalytic mechanism of NADH-FMN oxidoreductase (DszD) SF Sousa, JFM Sousa, ACC Barbosa, CE Ferreira, RPP Neves, ... The Journal of Physical Chemistry A 120 (27), 5300-5306, 2016 | 36 | 2016 |
| New insights in the catalytic mechanism of tyrosine ammonia-lyase given by QM/MM and QM cluster models GP Pinto, AJM Ribeiro, MJ Ramos, PA Fernandes, M Toscano, N Russo Archives of biochemistry and biophysics 582, 107-115, 2015 | 33 | 2015 |
| Synthesis and Hydrolytic Studies on the Air-Stable [(4-CN-PhO)(E)P(μ-NtBu)]2 (E = O, S, and Se) Cyclodiphosphazanes YX Shi, RZ Liang, KA Martin, N Weston, S Gonzalez-Calera, R Ganguly, ... Inorganic Chemistry 54 (13), 6423-6432, 2015 | 33 | 2015 |
| Insight into enzymatic nitrile reduction: QM/MM study of the catalytic mechanism of QueF nitrile reductase AJM Ribeiro, L Yang, MJ Ramos, PA Fernandes, ZX Liang, H Hirao ACS Catalysis 5 (6), 3740-3751, 2015 | 33 | 2015 |
| GRaSP: a graph-based residue neighborhood strategy to predict binding sites CA Santana, SA Silveira, JPA Moraes, SC Izidoro, RC de Melo-Minardi, ... Bioinformatics 36 (Supplement_2), i726-i734, 2020 | 28 | 2020 |
| HMG-CoA Reductase inhibitors: an updated review of patents of novel compounds and formulations (2011-2015) EF Oliveira, D Santos-Martins, AM Ribeiro, NF Brás, NS Cerqueira, ... Expert opinion on therapeutic patents 26 (11), 1257-1272, 2016 | 25 | 2016 |
Maria João RamosFull Professor, Universidade do Porto, PortugalVerified email at fc.up.pt
