| An automated force field topology builder (ATB) and repository: version 1.0 AK Malde, L Zuo, M Breeze, M Stroet, D Poger, PC Nair, C Oostenbrink, ... Journal of chemical theory and computation 7 (12), 4026-4037, 2011 | 1778 | 2011 |
| Testing and validation of the Automated Topology Builder (ATB) version 2.0: prediction of hydration free enthalpies KB Koziara, M Stroet, AK Malde, AE Mark Journal of computer-aided molecular design 28, 221-233, 2014 | 527 | 2014 |
| Automated topology builder version 3.0: Prediction of solvation free enthalpies in water and hexane M Stroet, B Caron, KM Visscher, DP Geerke, AK Malde, AE Mark Journal of chemical theory and computation 14 (11), 5834-5845, 2018 | 399 | 2018 |
| Real cost of speed: the effect of a time-saving multiple-time-stepping algorithm on the accuracy of molecular dynamics simulations S Reißer, D Poger, M Stroet, AE Mark Journal of chemical theory and computation 13 (6), 2367-2372, 2017 | 57 | 2017 |
| Understanding the effect of pH on the solubility and aggregation extent of humic acid in solution by combining simulation and the experiment T Lan, P Wu, Z Liu, M Stroet, J Liao, Z Chai, AE Mark, N Liu, D Wang Environmental science & technology 56 (2), 917-927, 2022 | 49 | 2022 |
| Elucidating the spatial arrangement of emitter molecules in organic light‐emitting diode films C Tonnelé, M Stroet, B Caron, AJ Clulow, RCR Nagiri, AK Malde, PL Burn, ... Angewandte Chemie International Edition 56 (29), 8402-8406, 2017 | 48 | 2017 |
| The molecular origin of anisotropic emission in an organic light-emitting diode T Lee, B Caron, M Stroet, DM Huang, PL Burn, AE Mark Nano Letters 17 (10), 6464-6468, 2017 | 42 | 2017 |
| Optimization of empirical force fields by parameter space mapping: A single-step perturbation approach M Stroet, KB Koziara, AK Malde, AE Mark Journal of chemical theory and computation 13 (12), 6201-6212, 2017 | 27 | 2017 |
| Predicting the prevalence of alternative warfarin tautomers in solution AK Malde, M Stroet, B Caron, KM Visscher, AE Mark Journal of chemical theory and computation 14 (8), 4405-4415, 2018 | 10 | 2018 |
| Integrated science support for managing Australia’s tropical rivers: a case study in the Daly river catchment F Pantus, CL Barton, L Bradford, M Stroet TRaCK consortium, Charles Darwin University, Darwin, 2011 | 10 | 2011 |
| Curved or linear? Predicting the 3‐dimensional structure of α‐helical antimicrobial peptides in an amphipathic environment G van den Bergen, M Stroet, B Caron, D Poger, AE Mark FEBS letters 594 (6), 1062-1080, 2020 | 9 | 2020 |
| Self-cyclisation as a general and efficient platform for peptide and protein macrocyclisation X Jia, YKY Chin, AH Zhang, T Crawford, Y Zhu, NL Fletcher, Z Zhou, ... Communications Chemistry 6 (1), 48, 2023 | 6 | 2023 |
| Facilitating the structural characterisation of non-canonical amino acids in biomolecular NMR S Kuschert, M Stroet, YKY Chin, AC Conibear, X Jia, T Lee, CRO Bartling, ... Magnetic Resonance 4 (1), 57-72, 2023 | 4 | 2023 |
| PyThinFilm: Automated Molecular Dynamics Simulation Protocols for the Generation of Thin Film Morphologies M Stroet, S Sanderson, AV Sanzogni, S Nada, T Lee, B Caron, AE Mark, ... Journal of Chemical Information and Modeling 63 (1), 2-8, 2022 | 4 | 2022 |
| Computational modelling of optical tweezers with many degrees of freedom using dynamic simulation: cylinders, nanowires, and multiple particles Y Cao, AB Stilgoe, M Stroet, VLY Loke, L Chen, TA Nieminen, ... Optical Trapping and Optical Micromanipulation IX 8458, 455-462, 2012 | 4 | 2012 |
| OFraMP: a fragment-based tool to facilitate the parametrization of large molecules M Stroet, B Caron, MS Engler, J van der Woning, A Kauffmann, M van Dijk, ... Journal of Computer-Aided Molecular Design 37 (8), 357-371, 2023 | 3 | 2023 |
| Engineering Transferable Atomic Force Fields: Empirical Optimization of Hydrocarbon Lennard–Jones Interactions by Direct Mapping of Parameter Space Z Zhou, AE Mark, M Stroet Journal of Chemical Theory and Computation 19 (13), 4074-4087, 2023 | 1 | 2023 |
| Australasian Computational and Simulation Commons (ACSC) AE Mark, M Stroet, S Nada The University of Queensland, 2022 | 1 | 2022 |
| Improving the accuracy of molecular dynamics simulations: parameterisation of interaction potentials for small molecules M Stroet | 1 | 2018 |
| On the Validation of Protein Force Fields Based on Structural Criteria M Stroet, M Setz, T Lee, AK Malde, G van den Bergen, P Sykacek, ... The Journal of Physical Chemistry B 128 (19), 4602-4620, 2024 | | 2024 |
