| Webina: an open-source library and web app that runs AutoDock Vina entirely in the web browser Y Kochnev, E Hellemann, KC Cassidy, JD Durrant Bioinformatics 36 (16), 4513-4515, 2020 | 70 | 2020 |
| Measurement of residual chemical shift anisotropies in compressed polymethylmethacrylate gels. Automatic compensation of gel isotropic shift contribution F Hallwass, RR Teles, E Hellemann, C Griesinger, RR Gil, ... Magnetic Resonance in Chemistry 56 (5), 321-328, 2018 | 31 | 2018 |
| Di (ethylene glycol) methyl ether methacrylate (DEGMEMA)‐derived gels align small organic molecules in methanol ME García, SR Woodruff, E Hellemann, NV Tsarevsky, RR Gil Magnetic Resonance in Chemistry 55 (3), 206-209, 2017 | 31 | 2017 |
| One-shot determination of residual dipolar couplings: application to the structural discrimination of small molecules containing multiple stereocenters L Castañar, M Garcia, E Hellemann, P Nolis, RR Gil, T Parella The Journal of Organic Chemistry 81 (22), 11126-11131, 2016 | 30 | 2016 |
| Application of Residual Dipolar Couplings and Selective Quantitative NOE to Establish the Structures of Tetranortriterpenoids from Xylocarpus rumphii W Waratchareeyakul, E Hellemann, RR Gil, K Chantrapromma, ... Journal of natural products 80 (2), 391-402, 2017 | 23 | 2017 |
| Mechanical behavior of polymer gels for RDCs and RCSAs collection: NMR imaging study of buckling phenomena E Hellemann, RR Teles, F Hallwass, W Barros Jr, A Navarro‐Vázquez, ... Chemistry–A European Journal 22 (46), 16632-16635, 2016 | 23 | 2016 |
| New stretching method for aligning gels: its application to the measurement residual chemical shift anisotropies (RCSAs) without the need for isotropic shift correction E Hellemann, RR Gil Chemistry–A European Journal 24 (15), 3689-3693, 2018 | 18 | 2018 |
| Adaptive laboratory evolution in S. cerevisiae highlights role of transcription factors in fungal xenobiotic resistance S Ottilie, MR Luth, E Hellemann, GM Goldgof, E Vigil, P Kumar, ... Communications Biology 5 (1), 128, 2022 | 10* | 2022 |
| Stability and Reactivity of 1, 3-Benzothiaphosphole: Metalation and Diels–Alder Chemistry JC Worch, E Hellemann, G Pros, C Gayathri, T Pintauer, RR Gil, ... Organometallics 34 (22), 5366-5373, 2015 | 10 | 2015 |
| Novel mutation in hexokinase 2 confers resistance to 2-deoxyglucose by altering protein dynamics E Hellemann, JL Walker, MA Lesko, DG Chandrashekarappa, ... PLoS Computational Biology 18 (3), e1009929, 2022 | 8 | 2022 |
| Allosteric inhibition of TEM‐1 β lactamase: Microsecond molecular dynamics simulations provide mechanistic insights E Hellemann, A Nallathambi, JD Durrant Protein Science 32 (4), e4622, 2023 | 3 | 2023 |
| Worth the Weight: Sub-Pocket EXplorer (SubPEx), a Weighted Ensemble Method to Enhance Binding-Pocket Conformational Sampling E Hellemann, JD Durrant Journal of Chemical Theory and Computation 19 (17), 5677-5689, 2023 | | 2023 |
| Sub-Pocket EXplorer (SubPEx): Leveraging weighted ensemble simulations to enhance the conformational search of binding-pocket conformations E Hellemann, JD Durrant American Chemical Society SciMeetings 1 (1), 2020 | | 2020 |
| RCSAs: Compressed versus stretched gels. Automatic correction of the isotropic component. E Hellemann, R Telles, F Hallwass, A Navarro-Vázquez, RR Gil | | |
| Collection of NMR Scalar and Residual Dipolar Couplings Using a Single Experiment, and Imaging Study of the Aligning Gels LF Gil-Silva, R Santamaría-Fernández, E Hellemann, RR Teles, ... | | |
