| Development of effective quantum mechanical/molecular mechanical (QM/MM) methods for complex biological processes D Riccardi, P Schaefer, Yang, H Yu, N Ghosh, X Prat-Resina, P König, ... The Journal of Physical Chemistry B 110 (13), 6458-6469, 2006 | 335 | 2006 |
| “Proton holes” in long-range proton transfer reactions in solution and enzymes: A theoretical analysis D Riccardi, P König, X Prat-Resina, H Yu, M Elstner, T Frauenheim, Q Cui Journal of the American Chemical Society 128 (50), 16302-16311, 2006 | 153 | 2006 |
| Dynamics of an enzymatic substitution reaction in haloalkane dehalogenase K Nam, X Prat-Resina, M Garcia-Viloca, LS Devi-Kesavan, J Gao Journal of the American Chemical Society 126 (5), 1369-1376, 2004 | 82 | 2004 |
| Microscopic pKa Analysis of Glu286 in Cytochrome c Oxidase (Rhodobacter sphaeroides): Toward a Calibrated Molecular Model N Ghosh, X Prat-Resina, MR Gunner, Q Cui Biochemistry 48 (11), 2468-2485, 2009 | 73 | 2009 |
| Determination of enzymatic reaction pathways using QM/MM methods G Monard, X Prat‐Resina, A González‐Lafont, JM Lluch International journal of quantum chemistry 93 (3), 229-244, 2003 | 66 | 2003 |
| Geometry optimization and transition state search in enzymes: different options in the microiterative method X Prat‐Resina, JM Bofill, À González‐Lafont, JM Lluch International journal of quantum chemistry 98 (4), 367-377, 2004 | 34 | 2004 |
| Connecting Analytics and Curriculum Design: Process and Outcomes of Building a Tool to Browse Data Relevant to Course Designers. RL Dunbar, MJ Dingel, X Prat-Resina Journal of Learning Analytics 1 (3), 223-243, 2014 | 32 | 2014 |
| DFT computational study of the mechanism of allyl halides carbonylation catalyzed by nickel tetracarbonyl A Bottoni, GP Miscione, JJ Novoa, X Prat-Resina Journal of the American Chemical Society 125 (34), 10412-10419, 2003 | 24 | 2003 |
| Computational study on the carboligation reaction of acetohidroxyacid synthase: New approach on the role of the HEThDP− intermediate G Jaña, V Jiménez, J Villà‐Freixa, X Prat‐Resina, E Delgado, J Alderete Proteins: Structure, Function, and Bioinformatics 78 (7), 1774-1788, 2010 | 19 | 2010 |
| Theoretical study of the mechanism of carbonyl insertion reactions catalyzed by nickel complexes F Bernardi, A Bottoni, M Nicastro, I Rossi, J Novoa, X Prat Organometallics 19 (11), 2170-2178, 2000 | 18 | 2000 |
| How important is the refinement of transition state structures in enzymatic reactions? X Prat-Resina, À González-Lafont, JM Lluch Journal of Molecular Structure: THEOCHEM 632 (1-3), 297-307, 2003 | 17 | 2003 |
| The search for stationary points on a quantum mechanical/molecular mechanical potential-energy surface X Prat-Resina, M Garcia-Viloca, G Monard, A González-Lafont, JM Lluch, ... Theoretical Chemistry Accounts 107, 147-153, 2002 | 17 | 2002 |
| On the modulation of the substrate activity for the racemization catalyzed by mandelate racemase enzyme. A QM/MM study X Prat-Resina, M Garcia-Viloca, A González-Lafont, JM Lluch Physical Chemistry Chemical Physics 4 (21), 5365-5371, 2002 | 14 | 2002 |
| A QM/MM study on the last two steps of the catalytic cycle of acetohydroxyacid synthase G Jaña, V Jiménez, J Villà-Freixa, X Prat-Resina, E Delgado, JB Alderete Computational and Theoretical Chemistry 966 (1-3), 159-166, 2011 | 12 | 2011 |
| ChemEd X data: Exposing students to open scientific data for higher-order thinking and self-regulated learning B Eklund, X Prat-Resina Journal of chemical education 91 (9), 1501-1504, 2014 | 9 | 2014 |
| Reaction mechanism of the mandelate anion racemization catalyzed by mandelate racemase enzyme: a QM/MM molecular dynamics free energy study X Prat-Resina, À González-Lafont, JM Lluch The Journal of Physical Chemistry B 109 (44), 21089-21101, 2005 | 8 | 2005 |
| Glucosylation mechanism of resveratrol through the mutant Q345F sucrose phosphorylase from the organism Bifidobacterium adolescentis: a computational study C Febres-Molina, L Sánchez, X Prat-Resina, GA Jaña Organic & Biomolecular Chemistry 20 (26), 5270-5283, 2022 | 5 | 2022 |
| Connecting the Dots: Students’ Mental Organization and Storage of Biochemistry Visual Literacy Skills CR Terrell, A Aguirre Lopez, NA Bobick, A Erickson, CR Fondie, ... The FASEB Journal 36, 2022 | 3 | 2022 |
| Conversations on ethnicity, adaptation and belonging: Auto-ethnography at the base of the ivory tower. MD Nichols, A Huq, B Aryal, X Prat-Resina Voices of immigrant professors: Historical and contemporary challenges …, 2015 | 3 | 2015 |
| Using data-driven activities with ChemEd X Data to practice structure-property relationships in General Chemistry X Prat-Resina Chemistry Teacher International 1, 2018 | 2 | 2018 |
