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Citations to this article as recorded by CrossRef and RSC Journals (8 citations).

The influence of metal-ion binding on the structure and surface composition of Sonic Hedgehog: a combined classical and hybrid QM/MM MD study
Manuel Hitzenberger and Thomas S. Hofer
Phys. Chem. Chem. Phys., 2016, 18, 22254
DOI: 10.1039/C6CP03960J

Development of magnetic ytterbium oxide core–shell particles for selectively trapping phosphopeptides
Christina Meisenbichler, Julia S. Rauch, Yüksel Güzel, Eva-Maria Wernig, Dieter Schemeth, Martina Tribus, Richard Tessadri and Matthias Rainer
Anal. Methods, 2016, 8, 3061
DOI: 10.1039/C5AY03423J

Absolute proton hydration free energy, surface potential of water, and redox potential of the hydrogen electrode from first principles: QM/MM MD free-energy simulations of sodium and potassium hydration
Thomas S. Hofer and Philippe H. Hünenberger
The Journal of Chemical Physics, 2018, 148
DOI: 10.1063/1.5000799

The Binding Mode of the Sonic Hedgehog Inhibitor Robotnikinin, a Combined Docking and QM/MM MD Study
Manuel Hitzenberger, Daniela Schuster and Thomas S. Hofer
Front. Chem., 2017, 5
DOI: 10.3389/fchem.2017.00076

The Jahn-Teller effect in mixed aqueous solution: the solvation of Cu2+ in 18.6% aqueous ammonia obtained from ab initio quantum mechanical charge field molecular dynamics
Wahyu Dita Saputri, Karna Wijaya, Harno Dwi Pranowo and Thomas S. Hofer
Pure and Applied Chemistry, 2019, 91, 1553
DOI: 10.1515/pac-2018-1115

Cu2+ in liquid ammonia—The impact of solvent flexibility and electron correlation in ab initio quantum mechanical charge field molecular dynamics
Wahyu Dita Saputri, Harno Dwi Pranowo, Manuel J. Schuler and Thomas S. Hofer
J Comput Chem, 2020, 41, 2168
DOI: 10.1002/jcc.26379

Can’t we negotiate the importance of electron correlation? HF vs RIMP2 in ab initio quantum mechanical charge field molecular dynamics simulations of Cu+ in pure liquid ammonia
Wahyu Dita Saputri, Harno Dwi Pranowo and Thomas S. Hofer
Journal of Molecular Liquids, 2022, 347, 118286
DOI: 10.1016/j.molliq.2021.118286

Investigation of the preferential solvation and dynamical properties of Cu+ in 18.6% aqueous ammonia solution using ab initio quantum mechanical charge field (QMCF) molecular dynamics and NBO analysis
Wahyu Dita Saputri, Yuniawan Hidayat, Karna Wijaya, Harno Dwi Pranowo and Thomas S. Hofer
Journal of Molecular Liquids, 2019, 275, 859
DOI: 10.1016/j.molliq.2018.11.022