| Empirical Conversion of pKa Values between Different Solvents and Interpretation of the Parameters: Application to Water, Acetonitrile, Dimethyl Sulfoxide, and … E Rossini, AD Bochevarov, EW Knapp ACS omega 3 (2), 1653-1662, 2018 | 114 | 2018 |
| Proton solvation in protic and aprotic solvents E Rossini, EW Knapp Journal of computational chemistry 37 (12), 1082-1091, 2016 | 63 | 2016 |
| Structured water molecules in the binding site of bromodomains can be displaced by cosolvent D Huang, E Rossini, S Steiner, A Caflisch ChemMedChem 9 (3), 573-579, 2014 | 49 | 2014 |
| Computing pKa Values in Different Solvents by Electrostatic Transformation E Rossini, RR Netz, EW Knapp Journal of chemical theory and computation 12 (7), 3360-3369, 2016 | 33 | 2016 |
| Analysis and engineering of substrate shuttling by the acyl carrier protein (ACP) in fatty acid synthases (FASs) E Rossini, J Gajewski, M Klaus, G Hummer, M Grininger Chemical communications 54 (82), 11606-11609, 2018 | 21 | 2018 |
| Merging structural information from X-ray crystallography, quantum chemistry, and EXAFS spectra: The oxygen-evolving complex in PSII P Chernev, I Zaharieva, E Rossini, A Galstyan, H Dau, EW Knapp The Journal of Physical Chemistry B 120 (42), 10899-10922, 2016 | 20 | 2016 |
| Protonation equilibria of transition metal complexes: From model systems toward the Mn-complex in photosystem II E Rossini, EW Knapp Coordination Chemistry Reviews 345, 16-30, 2017 | 18 | 2017 |
| Solution structure and conformational flexibility of a polyketide synthase module M Klaus, E Rossini, A Linden, KS Paithankar, M Zeug, Z Ignatova, ... JACS Au 1 (12), 2162-2171, 2021 | 15 | 2021 |
| On the computation of pKa values of organic and organometallic molecules in different solvents E Rossini | 1 | 2017 |
| Proton solvation in protic and aprotic solvents E Rossini, EW Knapp ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 250, 2015 | | 2015 |
| STUDIO COMPUTAZIONALE DELLA REAZIONE CATALITICA DELL’ALDOSO REDUTTASI E Rossini | | 2012 |
