| 2025 | Chemical Science Calvin Yiu, Ben Honoré, Will Gerrard, Jose Napolitano-Farina, Dave Russell, Iuni Margaret Laura Trist, Ruth Dooley, Craig P. Butts |
| 2024 | Journal of Chemical Information and Modeling Michael J. Bakker, Amina Gaffour, Martin Juhás, Vojtěch Zapletal, Jakub Stošek, Lars A. Bratholm, Jana Pavlíková Přecechtělová |
| 2023 | Molecules Ryan D. Cohen, Jared S. Wood, Yu-Hong Lam, Alexei V. Buevich, Edward C. Sherer, Mikhail Reibarkh, R. Thomas Williamson, Gary E. Martin |
| 2022 | Magnetic Resonance in Chemistry Will Gerrard, Calvin Yiu, Craig P. Butts |
| 2020 | Molecules Reinier Cárdenas, Javier Martínez-Seoane, Carlos Amero |
| 2020 | Chemical Science Will Gerrard, Lars A. Bratholm, Martin J. Packer, Adrian J. Mulholland, David R. Glowacki, Craig P. Butts |
| 2019 | Journal of Chemical Theory and Computation Jana Pavlíková Přecechtělová, Arnošt Mládek, Vojtěch Zapletal, Jozef Hritz |
| 2019 | Physical Chemistry Chemical Physics Tymofii Yu. Nikolaienko |
| 2019 | Biophysical Journal Efrosini Artikis, Charles L. Brooks |
| 2017 | Biochimica et Biophysica Acta (BBA) - Proteins and Proteomics Mark V. Berjanskii, David S. Wishart |
| 2017 | Journal of Chemical Theory and Computation Casper Steinmann, Lars Andersen Bratholm, Jógvan Magnus Haugaard Olsen, Jacob Kongsted |
| 2017 | Chemical Science Lars A. Bratholm, Jan H. Jensen |
| 2017 | Journal of the American Chemical Society Simon Olsson, Frank Noé |
| 2017 | Macromolecules Zhe Zhou, Dan Baugh, Philip P. Fontaine, Yiyong He, Zhi Shi, Sukrit Mukhopadhyay, Rongjuan Cong, Bill Winniford, Matt Miller |
| 2016 | RSC Advances Xinsheng Jin, Tong Zhu, John Z. H. Zhang, Xiao He |