| Beyond the active site: the impact of the outer coordination sphere on electrocatalysts for hydrogen production and oxidation B Ginovska-Pangovska, A Dutta, ML Reback, JC Linehan, WJ Shaw Accounts of Chemical Research 47 (8), 2621-2630, 2014 | 194 | 2014 |
| The radical mechanism of biological methane synthesis by methyl-coenzyme M reductase T Wongnate, D Sliwa, B Ginovska, D Smith, MW Wolf, N Lehnert, ... Science 352 (6288), 953-958, 2016 | 168 | 2016 |
| The role of pendant amines in the breaking and forming of molecular hydrogen catalyzed by nickel complexes S Raugei, S Chen, MH Ho, B Ginovska‐Pangovska, RJ Rousseau, ... Chemistry–A European Journal 18 (21), 6493-6506, 2012 | 129 | 2012 |
| Molecular dynamics study of the proposed proton transport pathways in [FeFe]-hydrogenase B Ginovska-Pangovska, MH Ho, JC Linehan, Y Cheng, M Dupuis, ... Biochimica et Biophysica Acta (BBA)-Bioenergetics 1837 (1), 131-138, 2014 | 98 | 2014 |
| In silico identification software (ISIS): a machine learning approach to tandem mass spectral identification of lipids LJ Kangas, TO Metz, G Isaac, BT Schrom, B Ginovska-Pangovska, ... Bioinformatics 28 (13), 1705-1713, 2012 | 83 | 2012 |
| Tuning catalytic bias of hydrogen gas producing hydrogenases JH Artz, OA Zadvornyy, DW Mulder, SM Keable, AE Cohen, MW Ratzloff, ... Journal of the American Chemical Society 142 (3), 1227-1235, 2019 | 80 | 2019 |
| Graphene oxide membranes with high permeability and selectivity for dehumidification of air Y Shin, W Liu, B Schwenzer, S Manandhar, D Chase-Woods, ... Carbon 106, 164-170, 2016 | 63 | 2016 |
| Controlling proton delivery through catalyst structural dynamics AJP Cardenas, B Ginovska, N Kumar, J Hou, S Raugei, ML Helm, ... Angewandte Chemie 128 (43), 13707-13711, 2016 | 61 | 2016 |
| Analysis of the Activation and Heterolytic Dissociation of H2 by Frustrated Lewis Pairs: NH3/BX3 (X = H, F, and Cl) DM Camaioni, B Ginovska-Pangovska, GK Schenter, SM Kathmann, ... The Journal of Physical Chemistry A 116 (26), 7228-7237, 2012 | 60 | 2012 |
| Achieving Reversible H2/H+ Interconversion at Room Temperature with Enzyme-Inspired Molecular Complexes: A Mechanistic Study N Priyadarshani, A Dutta, B Ginovska, GW Buchko, M O’Hagan, S Raugei, ... ACS Catalysis 6 (9), 6037-6049, 2016 | 58 | 2016 |
| Structural characterization of the P1+ intermediate state of the P-cluster of nitrogenase SM Keable, OA Zadvornyy, LE Johnson, B Ginovska, AJ Rasmussen, ... Journal of Biological Chemistry 293 (25), 9629-9635, 2018 | 53 | 2018 |
| Visualizing biomolecular electrostatics in virtual reality with UnityMol‐APBS J Laureanti, J Brandi, E Offor, D Engel, R Rallo, B Ginovska, X Martinez, ... Protein Science 29 (1), 237-246, 2020 | 47 | 2020 |
| The Role of a Dipeptide Outer‐Coordination Sphere on H2‐Production Catalysts: Influence on Catalytic Rates and Electron Transfer ML Reback, B Ginovska‐Pangovska, MH Ho, A Jain, TC Squier, S Raugei, ... Chemistry–A European Journal 19 (6), 1928-1941, 2013 | 46 | 2013 |
| Enzyme design from the bottom up: an active nickel electrocatalyst with a structured peptide outer coordination sphere ML Reback, GW Buchko, BL Kier, B Ginovska‐Pangovska, Y Xiong, ... Chemistry–A European Journal 20 (6), 1510-1514, 2014 | 43 | 2014 |
| Charge-dependent cavity radii for an accurate dielectric continuum model of solvation with emphasis on ions: aqueous solutes with oxo, hydroxo, amino, methyl, chloro, bromo … B Ginovska, DM Camaioni, M Dupuis, CA Schwerdtfeger, Q Gil The Journal of Physical Chemistry A 112 (42), 10604-10613, 2008 | 43 | 2008 |
| Single-amino acid modifications reveal additional controls on the proton pathway of [FeFe]-hydrogenase AJ Cornish, B Ginovska, A Thelen, JCS da Silva, TA Soares, S Raugei, ... Biochemistry 55 (22), 3165-3173, 2016 | 37 | 2016 |
| Optimizing conditions for utilization of an H 2 oxidation catalyst with outer coordination sphere functionalities A Dutta, B Ginovska, S Raugei, JAS Roberts, WJ Shaw Dalton Transactions 45 (24), 9786-9793, 2016 | 34 | 2016 |
| Reaction pathways and excited states in H2O2+ OH→ HO2+ H2O: A new ab initio investigation B Ginovska, DM Camaioni, M Dupuis The Journal of chemical physics 127 (8), 2007 | 27 | 2007 |
| A Positive Charge in the Outer Coordination Sphere of an Artificial Enzyme Increases CO2 Hydrogenation JA Laureanti, B Ginovska, GW Buchko, GK Schenter, M Hebert, ... Organometallics 39 (9), 1532-1544, 2020 | 26 | 2020 |
| Nickel–sulfonate mode of substrate binding for forward and reverse reactions of methyl-SCoM reductase suggest a radical mechanism involving long-range electron transfer A Patwardhan, R Sarangi, B Ginovska, S Raugei, SW Ragsdale Journal of the American Chemical Society 143 (14), 5481-5496, 2021 | 22 | 2021 |
Simone RaugeiPacific Northwest National LaboratoryE-mail megerősítve itt: pnnl.gov
