| Design of an in vitro biocatalytic cascade for the manufacture of islatravir MA Huffman, A Fryszkowska, O Alvizo, M Borra-Garske, KR Campos, ... Science 366 (6470), 1255-1259, 2019 | 514 | 2019 |
| Copper-transfer mechanism from the human chaperone Atox1 to a metal-binding domain of Wilson disease protein A Rodriguez-Granillo, A Crespo, DA Estrin, P Wittung-Stafshede The Journal of Physical Chemistry B 114 (10), 3698-3706, 2010 | 58 | 2010 |
| Computational Design of Thermostabilizing d-Amino Acid Substitutions A Rodriguez-Granillo, S Annavarapu, L Zhang, RL Koder, V Nanda Journal of the American Chemical Society 133 (46), 18750-18759, 2011 | 52 | 2011 |
| Lysine-60 in copper chaperone Atox1 plays an essential role in adduct formation with a target Wilson disease domain F Hussain, A Rodriguez-Granillo, P Wittung-Stafshede Journal of the American Chemical Society 131 (45), 16371-16373, 2009 | 52 | 2009 |
| Advantages and disadvantages of biodegradable platforms in drug eluting stents A Rodriguez-Granillo, B Rubilar, G Rodriguez-Granillo, AE Rodriguez World journal of cardiology 3 (3), 84, 2011 | 49 | 2011 |
| Stability and ATP binding of the nucleotide-binding domain of the Wilson disease protein: effect of the common H1069Q mutation A Rodriguez-Granillo, E Sedlak, P Wittung-Stafshede Journal of molecular biology 383 (5), 1097-1111, 2008 | 47 | 2008 |
| Structure and dynamics of Cu (I) binding in copper chaperones Atox1 and CopZ: a computer simulation study A Rodriguez-Granillo, P Wittung-Stafshede The Journal of Physical Chemistry B 112 (15), 4583-4593, 2008 | 41 | 2008 |
| Structural principles for computational and de novo design of 4Fe–4S metalloproteins V Nanda, S Senn, DH Pike, A Rodriguez-Granillo, WA Hansen, SD Khare, ... Biochimica et Biophysica Acta (BBA)-Bioenergetics 1857 (5), 531-538, 2016 | 39 | 2016 |
| Conformational dynamics of metal-binding domains in Wilson disease protein: molecular insights into selective copper transfer A Rodriguez-Granillo, A Crespo, P Wittung-Stafshede Biochemistry 48 (25), 5849-5863, 2009 | 36 | 2009 |
| Quantum-mechanics methodologies in drug discovery: applications of docking and scoring in lead optimization A Crespo, A Rodriguez-Granillo, VT Lim Current Topics in Medicinal Chemistry 17 (23), 2663-2680, 2017 | 35 | 2017 |
| Energetic selection of topology in ferredoxins JD Kim, A Rodriguez-Granillo, DA Case, V Nanda, PG Falkowski PLoS computational biology 8 (4), e1002463, 2012 | 35 | 2012 |
| “Site and mutation”-specific predictions enable minimal directed evolution libraries JC Moore, A Rodriguez-Granillo, A Crespo, S Govindarajan, M Welch, ... ACS Synthetic Biology 7 (7), 1730-1741, 2018 | 27 | 2018 |
| Interdomain interactions modulate collective dynamics of the metal-binding domains in the Wilson disease protein A Rodriguez-Granillo, A Crespo, P Wittung-Stafshede The Journal of Physical Chemistry B 114 (5), 1836-1848, 2010 | 27 | 2010 |
| Differential roles of Met10, Thr11, and Lys60 in structural dynamics of human copper chaperone Atox1 A Rodriguez-Granillo, P Wittung-Stafshede Biochemistry 48 (5), 960-972, 2009 | 23 | 2009 |
| Accurate prediction of protein thermodynamic stability changes upon residue mutation using free energy perturbation G Scarabelli, EO Oloo, JKX Maier, A Rodriguez-Granillo Journal of Molecular Biology 434 (2), 167375, 2022 | 19 | 2022 |
| Tuning of copper-loop flexibility in Bacillus subtilis CopZ copper chaperone: role of conserved residues A Rodriguez-Granillo, P Wittung-Stafshede The Journal of Physical Chemistry B 113 (7), 1919-1932, 2009 | 15 | 2009 |
| Effect of doxycycline on atherosclerosis: from bench to bedside G A Rodriguez-Granillo, A Rodriguez-Granillo, J Milei Recent Patents on Cardiovascular Drug Discovery (Discontinued) 6 (1), 42-54, 2011 | 13 | 2011 |
| STAT5 transcriptional activity is impaired by LIF in a mammary epithelial cell line AR Granillo, JC Boffi, L Baranao, E Kordon, A Pecci, A Guberman Biochemical and biophysical research communications 356 (3), 727-732, 2007 | 11 | 2007 |
| Combination of HDX-MS and in silico modeling to study enzymatic reactivity and stereo-selectivity at different solvent conditions AA Makarov, RE Iacob, GF Pirrone, A Rodriguez-Granillo, L Joyce, ... Journal of Pharmaceutical and Biomedical Analysis 182, 113141, 2020 | 8 | 2020 |
| Engineered deoxyribose-phosphate aldolases D Duan, O Alvizo, J Nazor, HC Maniar, JN Riggins, J Vroom, ... US Patent 11,274,286, 2022 | 5 | 2022 |
