| Allostery in its many disguises: from theory to applications SJ Wodak, E Paci, NV Dokholyan, IN Berezovsky, A Horovitz, J Li, ... Structure 27 (4), 566-578, 2019 | 335 | 2019 |
| Gaussian accelerated molecular dynamics: Principles and applications J Wang, PR Arantes, A Bhattarai, RV Hsu, S Pawnikar, YM Huang, ... WIREs Computational Molecular Science, e1521, 2021 | 190 | 2021 |
| Valence and conduction band tuning in halide perovskites for solar cell applications S Meloni, G Palermo, N Ashari-Astani, M Grätzel, U Rothlisberger Journal of Materials Chemistry A 4 (41), 15997-16002, 2016 | 185 | 2016 |
| Catalytic metal ions and enzymatic processing of DNA and RNA G Palermo, A Cavalli, ML Klein, M Alfonso-Prieto, M Dal Peraro, ... Accounts of chemical research 48 (2), 220-228, 2015 | 168 | 2015 |
| CRISPR-Cas9 conformational activation as elucidated from enhanced molecular simulations G Palermo, Y Miao, RC Walker, M Jinek, JA McCammon Proceedings of the National Academy of Sciences 114 (28), 7260-7265, 2017 | 167 | 2017 |
| Striking plasticity of CRISPR-Cas9 and key role of non-target DNA, as revealed by molecular simulations G Palermo, Y Miao, RC Walker, M Jinek, JA McCammon ACS central science 2 (10), 756-763, 2016 | 129 | 2016 |
| Fighting cancer with transition metal complexes: from naked DNA to protein and chromatin targeting strategies G Palermo, A Magistrato, T Riedel, T Von Erlach, CA Davey, PJ Dyson, ... ChemMedChem 11 (12), 1199-1210, 2016 | 128 | 2016 |
| Protospacer Adjacent Motif-Induced Allostery Activates CRISPR-Cas9 G Palermo, CG Ricci, A Fernando, R Basak, M Jinek, I Rivalta, ... Journal of the American Chemical Society, 2017 | 125 | 2017 |
| Structural basis for Cas9 off-target activity M Pacesa, CH Lin, A Cléry, A Saha, PR Arantes, K Bargsten, MJ Irby, ... Cell 185 (22), 4067-4081. e21, 2022 | 112 | 2022 |
| Key role of the REC lobe during CRISPR–Cas9 activation by ‘sensing’,‘regulating’, and ‘locking’the catalytic HNH domain G Palermo, JS Chen, CG Ricci, I Rivalta, M Jinek, VS Batista, JA Doudna, ... Quarterly reviews of biophysics 51, e9, 2018 | 110 | 2018 |
| Deciphering off-target effects in CRISPR-Cas9 through accelerated molecular dynamics CG Ricci, JS Chen, Y Miao, M Jinek, JA Doudna, JA McCammon, ... ACS central science 5 (4), 651-662, 2019 | 107 | 2019 |
| Allosteric Motions of the CRISPR–Cas9 HNH Nuclease Probed by NMR and Molecular Dynamics KD East, JC Newton, UN Morzan, B Narkhede, Yogesh, A Acharya, ... Journal of the American Chemical Society 142 (3), 1348-1358, 2020 | 97 | 2020 |
| Catalytic Mechanism of Non-Target DNA Cleavage in CRISPR-Cas9 Revealed by Ab Initio Molecular Dynamics L Casalino, L Nierzwicki, M Jinek, G Palermo ACS Catalysis, 2020 | 84 | 2020 |
| Who activates the nucleophile in ribozyme catalysis? An answer from the splicing mechanism of group II introns L Casalino, G Palermo, U Rothlisberger, A Magistrato Journal of the American Chemical Society 138 (33), 10374-10377, 2016 | 81 | 2016 |
| Enhancement of CRISPR/Cas12a trans-cleavage activity using hairpin DNA reporters M Rossetti, R Merlo, N Bagheri, D Moscone, A Valenti, A Saha, ... Nucleic acids research 50 (14), 8377-8391, 2022 | 79 | 2022 |
| All-atom simulations disentangle the functional dynamics underlying gene maturation in the intron lariat spliceosome L Casalino, G Palermo, A Spinello, U Rothlisberger, A Magistrato Proceedings of the National Academy of Sciences 115 (26), 6584-6589, 2018 | 74 | 2018 |
| Allosteric cross-talk in chromatin can mediate drug-drug synergy Z Adhireksan*, G Palermo*, T Riedel*, Z Ma, R Muhammad, ... Nature Communications 8, 2017 | 72 | 2017 |
| Structure and dynamics of the CRISPR–Cas9 catalytic complex G Palermo Journal of Chemical Information and Modeling 59 (5), 2394-2406, 2019 | 67 | 2019 |
| Development of Site-specific Mg2+-RNA Force Field Parameters: A Dream or Reality? Guidelines from Combined Molecular Dynamics and Quantum Mechanics Simulations L Casalino, G Palermo, N Abdurakhmonova, U Rothlisberger, ... Journal of Chemical Theory and Computation 13 (1), 340-352, 2017 | 66 | 2017 |
| Fighting COVID-19 Using Molecular Dynamics Simulations PR Arantes, A Saha, G Palermo ACS Central Science, 2020 | 65 | 2020 |
Pablo Ricardo ArantesScientist at Vita Nova Institute (EMS)Verified email at ems.com.br
