| The general AMBER force field (GAFF) can accurately predict thermodynamic and transport properties of many ionic liquids KG Sprenger, VW Jaeger, J Pfaendtner The Journal of Physical Chemistry B 119 (18), 5882-5895, 2015 | 448 | 2015 |
| Optimizing immunization protocols to elicit broadly neutralizing antibodies KG Sprenger*, JE Louveau*, PM Murugan, AK Chakraborty Proceedings of the National Academy of Sciences 117 (33), 20077-20087, 2020 | 59 | 2020 |
| One-shot identification of SARS-CoV-2 S RBD escape mutants using yeast screening IM Francino-Urdaniz, PJ Steiner, MB Kirby, F Zhao, CM Haas, S Barman, ... Cell Reports 36 (9), 2021 | 51 | 2021 |
| Strong electrostatic interactions lead to entropically favorable binding of peptides to charged surfaces KG Sprenger, J Pfaendtner Langmuir 32 (22), 5690-5701, 2016 | 48 | 2016 |
| Molecular driving forces in peptide adsorption to metal oxide surfaces CM Mao, J Sampath, KG Sprenger, G Drobny, J Pfaendtner Langmuir 35 (17), 5911-5920, 2019 | 47 | 2019 |
| Investigating the role of phosphorylation in the binding of silaffin peptide R5 to silica with molecular dynamics simulations KG Sprenger*, A Prakash*, G Drobny, J Pfaendtner Langmuir 34 (3), 1199-1207, 2018 | 43 | 2018 |
| Essential slow degrees of freedom in protein-surface simulations: A metadynamics investigation A Prakash*, KG Sprenger*, J Pfaendtner Biochemical and biophysical research communications 498 (2), 274-281, 2018 | 33 | 2018 |
| Roadmap on biology in time varying environments A Murugan, K Husain, MJ Rust, C Hepler, J Bass, JMJ Pietsch, PS Swain, ... Physical biology 18 (4), 041502, 2021 | 32 | 2021 |
| Sequence–structure–binding relationships reveal adhesion behavior of the Car9 solid-binding peptide: an integrated experimental and simulation study B Hellner, S Alamdari, H Pyles, S Zhang, A Prakash, KG Sprenger, ... Journal of the American Chemical Society 142 (5), 2355-2363, 2020 | 31 | 2020 |
| Mechanism of Competitive Inhibition and Destabilization of Acidothermus cellulolyticus Endoglucanase 1 by Ionic Liquids SR Summers, KG Sprenger, J Pfaendtner, J Marchant, MF Summers, ... The Journal of Physical Chemistry B 121 (48), 10793-10803, 2017 | 27 | 2017 |
| Elucidating sequence and solvent specific design targets to protect and stabilize enzymes for biocatalysis in ionic liquids KG Sprenger, JG Plaks, JL Kaar, J Pfaendtner Physical Chemistry Chemical Physics 19 (26), 17426-17433, 2017 | 25 | 2017 |
| Lytic Polysaccharide Monooxygenases ScLPMO10B and ScLPMO10C Are Stable in Ionic Liquids As Determined by Molecular Simulations KG Sprenger, A Choudhury, JL Kaar, J Pfaendtner The Journal of Physical Chemistry B 120 (16), 3863-3872, 2016 | 23 | 2016 |
| Using molecular simulation to study biocatalysis in ionic liquids KG Sprenger, J Pfaendtner Methods in enzymology 577, 419-441, 2016 | 20 | 2016 |
| Multiscale affinity maturation simulations to elicit broadly neutralizing antibodies against HIV S Conti, V Ovchinnikov, JG Faris, AK Chakraborty, M Karplus*, ... PLoS computational biology 18 (4), e1009391, 2022 | 17* | 2022 |
| Regulatory approved monoclonal antibodies contain framework mutations predicted from human antibody repertoires BM Petersen, SA Ulmer, ER Rhodes, MF Gutierrez-Gonzalez, BJ Dekosky, ... Frontiers in Immunology 12, 728694, 2021 | 15 | 2021 |
| Analysis of Poly (ethylene terephthalate) degradation kinetics of evolved IsPETase variants using a surface crowding model EZL Zhong-Johnson, Z Dong, CT Canova, F Destro, M Cañellas, ... Journal of Biological Chemistry 300 (3), 2024 | 13 | 2024 |
| Effect of an ionic liquid/air Interface on the structure and dynamics of amphiphilic peptides K Palunas*, KG Sprenger*, T Weidner, J Pfaendtner Journal of Molecular Liquids 236, 404-413, 2017 | 10 | 2017 |
| Probing How Defects in Self-assembled Monolayers Affect Peptide Adsorption with Molecular Simulation KG Sprenger, Y He, J Pfaendtner Foundations of Molecular Modeling and Simulation: Select Papers from FOMMS …, 2016 | 10 | 2016 |
| Using synthetic ApoC-II peptides and nAngptl4 fragments to measure lipoprotein lipase activity in radiometric and fluorescent assays D Oldham, H Wang, J Mullen, E Lietzke, K Sprenger, P Reigan, RH Eckel, ... Frontiers in Cardiovascular Medicine 9, 926631, 2022 | 8 | 2022 |
| Moving the Needle: Employing Deep Reinforcement Learning to Push the Boundaries of Coarse-Grained Vaccine Models JG Faris, D Orbidan, C Wells, BK Petersen*, KG Sprenger* Frontiers in Immunology, 6448, 2022 | 6 | 2022 |