| Dynamic nuclear polarization-enhanced NMR on aligned lipid bilayers at ambient temperature O Jakdetchai, V Denysenkov, J Becker-Baldus, B Dutagaci, TF Prisner, ... Journal of the American Chemical Society 136 (44), 15533-15536, 2014 | 51 | 2014 |
| Structural properties of so-called NSAID–phospholipid-complexes J Hüsch, B Dutagaci, C Glaubitz, T Geppert, G Schneider, M Harms, ... European journal of pharmaceutical sciences 44 (1-2), 103-116, 2011 | 51 | 2011 |
| Charge-driven condensation of RNA and proteins suggests broad role of phase separation in cytoplasmic environments B Dutagaci, G Nawrocki, J Goodluck, AA Ashkarran, CG Hoogstraten, ... Elife 10, e64004, 2021 | 46 | 2021 |
| Prediction of membrane permeation of drug molecules by combining an implicit membrane model with machine learning SA Brocke, A Degen, AD MacKerell Jr, B Dutagaci, M Feig Journal of chemical information and modeling 59 (3), 1147-1162, 2019 | 28 | 2019 |
| Ceramide–lipid interactions studied by MD simulations and solid-state NMR B Dutagaci, J Becker-Baldus, JD Faraldo-Gómez, C Glaubitz Biochimica et Biophysica Acta (BBA)-Biomembranes 1838 (10), 2511-2519, 2014 | 24 | 2014 |
| Structure refinement of membrane proteins via molecular dynamics simulations B Dutagaci, L Heo, M Feig Proteins: Structure, Function, and Bioinformatics 86 (7), 738-750, 2018 | 16 | 2018 |
| Heterogeneous dielectric generalized B orn model with a van der W aals term provides improved association energetics of membrane‐embedded transmembrane helices B Dutagaci, M Sayadi, M Feig Journal of computational chemistry 38 (16), 1308-1320, 2017 | 11 | 2017 |
| Protein-Nucleic Acid Interactions for RNA Polymerase II Elongation Factors by Molecular Dynamics Simulations A Gallardo, B Bogart, B Dutagaci Journal of Chemical Information and Modeling 62 (12), 3079-3089, 2022 | 9 | 2022 |
| Determination of hydrophobic lengths of membrane proteins with the HDGB implicit membrane model B Dutagaci, M Feig Journal of chemical information and modeling 57 (12), 3032-3042, 2017 | 6 | 2017 |
| Discrimination of native-like states of membrane proteins with implicit membrane-based scoring functions B Dutagaci, K Wittayanarakul, T Mori, M Feig Journal of chemical theory and computation 13 (6), 3049-3059, 2017 | 6 | 2017 |
| Complex Conformational Space of the RNA Polymerase II C-Terminal Domain upon Phosphorylation WD Amith, B Dutagaci The Journal of Physical Chemistry B 127 (43), 9223–9235, 2023 | 5 | 2023 |
| Molecular Dynamics Simulations of Rhodamine B Zwitterion Diffusion in Polyelectrolyte Solutions PK Walhout, Z He, B Dutagaci, G Nawrocki, M Feig The Journal of Physical Chemistry B 126 (48), 10256-10272, 2022 | 5 | 2022 |
| Characterization of RNA polymerase II trigger loop mutations using molecular dynamics simulations and machine learning B Dutagaci, B Duan, C Qiu, CD Kaplan, M Feig PLOS Computational Biology 19 (3), e1010999, 2023 | 3 | 2023 |
| A DFT approach to discriminate the antagonist and partial agonist activity of ligands binding to the NMDA receptor ZP Haslak, E Bozkurt, B Dutagaci, F De Proft, V Aviyente, ... Molecular Physics 116 (3), 323-337, 2018 | 1 | 2018 |
| Binding of small molecule inhibitors to RNA polymerase-Spt5 complex impacts RNA and DNA stability A Gallardo, B Dutagaci Journal of Computer-Aided Molecular Design 38 (1), 1, 2024 | | 2024 |
| Clustering of RNA Polymerase II C-Terminal Domain Models upon Phosphorylation WD Amith, VT Chen, B Dutagaci bioRxiv, 2024.06. 28.601284, 2024 | | 2024 |
| Structural basis of transcription: RNA Polymerase II substrate binding and metal coordination at 3.0 Å using a free-electron laser G Lin, CO Barnes, S Weiss, B Dutagaci, C Qiu, M Feig, J Song, ... bioRxiv, 2023 | | 2023 |
| Analysis of RNA polymerase II trigger loop mutations using simulations and machine learning B Dutagaci, B Duan, CD Kaplan, M Feig Biophysical Journal 122 (3), 68a, 2023 | | 2023 |
| Effects of phosphorylation to the conformational space of C-terminal domain of RNA polymerase II WD Amith, B Dutagaci Biophysical Journal 122 (3), 64a, 2023 | | 2023 |
| Theoretical estimation of membrane permeabilities of drugs by implicit membrane models and machine learning B Dutagaci, S Brocke, A Mackerell, M Feig ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 257, 2019 | | 2019 |
