Martin Stroet

Martin Stroet

University of Queensland - St Lucia / Australia
Medical and Health Sciences / Biophysics
AD Scientific Index ID: 45979
The University of Queensland
person_outline Martin Stroet's MOST POPULAR ARTICLES
1-) An automated force field topology builder (ATB) and repository: version 1.0 Journal of chemical theory and computation 7 (12), 4026-4037, 2011
2-) Testing and validation of the Automated Topology Builder (ATB) version 2.0: prediction of hydration free enthalpies Journal of computer-aided molecular design 28, 221-233, 2014
3-) Automated topology builder version 3.0: Prediction of solvation free enthalpies in water and hexane Journal of chemical theory and computation 14 (11), 5834-5845, 2018
4-) Understanding the effect of pH on the solubility and aggregation extent of humic acid in solution by combining simulation and the experiment Environmental science & technology 56 (2), 917-927, 2022
5-) Real cost of speed: the effect of a time-saving multiple-time-stepping algorithm on the accuracy of molecular dynamics simulations Journal of chemical theory and computation 13 (6), 2367-2372, 2017