| Evolution of chalcone isomerase from a noncatalytic ancestor M Kaltenbach, JR Burke, M Dindo, A Pabis, FS Munsberg, A Rabin, ... Nature chemical biology 14 (6), 548-555, 2018 | 128 | 2018 |
| A new maximum likelihood approach for free energy profile construction from molecular simulations TS Lee, BK Radak, A Pabis, DM York Journal of chemical theory and computation 9 (1), 153-164, 2013 | 106 | 2013 |
| Cooperativity and flexibility in enzyme evolution A Pabis, VA Risso, JM Sanchez-Ruiz, SCL Kamerlin Current opinion in structural biology 48, 83-92, 2018 | 83 | 2018 |
| Promiscuity and electrostatic flexibility in the alkaline phosphatase superfamily A Pabis, SCL Kamerlin Current opinion in structural biology 37, 14-21, 2016 | 61 | 2016 |
| GTP hydrolysis without an active site base: A unifying mechanism for ras and related GTPases AR Calixto, C Moreira, A Pabis, C Kötting, K Gerwert, T Rudack, ... Journal of the American Chemical Society 141 (27), 10684-10701, 2019 | 54 | 2019 |
| Influenza hemagglutinin drives viral entry via two sequential intramembrane mechanisms A Pabis, RJ Rawle, PM Kasson Proceedings of the National Academy of Sciences 117 (13), 7200-7207, 2020 | 51 | 2020 |
| Density and temperature effect on hydrogen-bonded clusters in water-MD simulation study D Swiatla-Wojcik, A Pabis, J Szala Central European Journal of Chemistry 6 (4), 555-561, 2008 | 48 | 2008 |
| Extending the Nonbonded Cationic Dummy Model to Account for Ion-Induced Dipole Interactions Q Liao, A Pabis, B Strodel, SCL Kamerlin The journal of physical chemistry letters 8 (21), 5408-5414, 2017 | 44 | 2017 |
| Cryptic genetic variation shapes the adaptive evolutionary potential of enzymes F Baier, N Hong, G Yang, A Pabis, CM Miton, A Barrozo, PD Carr, ... eLife 8, e40789, 2019 | 43 | 2019 |
| Promiscuity in the enzymatic catalysis of phosphate and sulfate transfer A Pabis, F Duarte, SCL Kamerlin Biochemistry 55 (22), 3061-3081, 2016 | 43 | 2016 |
| Molecular dynamics simulation of nitrobenzene dioxygenase using AMBER force field A Pabis, I Geronimo, DM York, P Paneth Journal of chemical theory and computation 10 (6), 2246-2254, 2014 | 40 | 2014 |
| Substrate and enzyme specificity of the kinetic isotope effects associated with the dioxygenation of nitroaromatic contaminants SG Pati, HPE Kohler, A Pabis, P Paneth, RE Parales, TB Hofstetter Environmental science & technology 50 (13), 6708-6716, 2016 | 39 | 2016 |
| A DFT Study of the cis-Dihydroxylation of Nitroaromatic Compounds Catalyzed by Nitrobenzene Dioxygenase A Pabis, I Geronimo, P Paneth The Journal of Physical Chemistry B 118 (12), 3245-3256, 2014 | 36 | 2014 |
| Molecular dynamics study of the hydration of the hydroxyl radical at body temperature A Pabis, J Szala-Bilnik, D Swiatla-Wojcik Physical Chemistry Chemical Physics 13 (20), 9458-9468, 2011 | 36 | 2011 |
| Probing the mechanisms for the selectivity and promiscuity of methyl parathion hydrolase M Purg, A Pabis, F Baier, N Tokuriki, C Jackson, SCL Kamerlin Philosophical Transactions of the Royal Society A: Mathematical, Physical …, 2016 | 34 | 2016 |
| Measurements of Heavy-Atom Isotope Effects Using 1H NMR Spectroscopy A Pabis, R Kamiński, G Ciepielowski, S Jankowski, P Paneth The Journal of organic chemistry 76 (19), 8033-8035, 2011 | 27 | 2011 |
| A DFT Study of the Kinetic Isotope Effects on the Competing SN2 and E2 Reactions between Hypochlorite Anion and Ethyl Chloride A Pabis, P Paluch, J Szala, P Paneth Journal of chemical theory and computation 5 (1), 33-36, 2009 | 23 | 2009 |
| A theoretical study of carbon–carbon bond formation by a Michael-type addition K Świderek, A Pabis, V Moliner Organic & biomolecular chemistry 10 (29), 5598-5605, 2012 | 18 | 2012 |
| The structure of cyclolinopeptide A in chloroform refined by RDC measurements K Huben, M Jewgiński, A Pabis, P Paluch, B Luy, S Jankowski Journal of Peptide Science 20 (11), 901-907, 2014 | 15 | 2014 |
| Enhancing the Steroid Sulfatase Activity of the Arylsulfatase from Pseudomonas aeruginosa DR Uduwela, A Pabis, BJ Stevenson, SCL Kamerlin, MD McLeod ACS Catalysis 8 (9), 8902-8914, 2018 | 14 | 2018 |
