Aatto Laaksonen

Yong-Lei Wang, Zhong-Yuan Lu and Aatto Laaksonen. 2014. Heterogeneous dynamics of ionic liquids in confined films with varied film thickness. Physical Chemistry Chemical Physics, 16 (38), 20731-20740

Guido Todde, Sven Hovmöller, Aatto Laaksonen and Francesca Mocci. 2014. Glucose oxidase from Penicillium amagasakiense: Characterization of the transition state of its denaturation from molecular dynamics simulations. Proteins: Structure, Function, and Bioinformatics, 82 (10), 2353–2363

Tianyang Sun, Guang Han, Matteus Lindgren, Zhijian Shen and Aatto Laaksonen. 2014. Adhesion of lactoferrin and bone morphogenetic protein-2 to a rutile surface: dependence on the surface hydrophobicity. Biomaterials Science, 2 (8,) 1090-1099

Sten Sarman and Aatto Laaksonen. 2014. Director alignment relative to the temperature gradient in nematic liquid crystals studied by molecular dynamics simulation. Physical Chemistry Chemical Physics, 16 (28), 14741-14749

Aymeric Naome, Aatto Laaksonen and Daniel P. Vercauteren. 2014. A Solvent-Mediated Coarse-Grained Model of DNA Derived with the Systematic Newton Inversion Method. Journal of Chemical Theory and Computation, 10 (8), 3541-3549

Wang, Yong-Lei, and Aatto Laaksonen. 2014. Interfacial Structure and Orientation of Confined Ionic Liquids on Charged Quartz Surfaces. Phys. Chem. Chem. Phys. 16 (42): 23329–39. doi:10.1039/C4CP03077J.

Wang, Yong-Lei, Sten Sarman, Sergei Glavatskih, Oleg N. Antzutkin, Mark W. Rutland, and Aatto Laaksonen. 2015. Atomistic Insight into Tetraalkylphosphonium-Bis(oxalato)borate Ionic Liquid/Water Mixtures. I. Local Microscopic Structure. The Journal of Physical Chemistry B 119 (16): 5251–64. doi:10.1021/acs.jpcb.5b00667.

Todde, Guido, Sven Hovmöller, Aatto Laaksonen, and Francesca Mocci. 2014. Glucose Oxidase from Penicillium Amagasakiense : Characterization of the Transition State of Its Denaturation from Molecular Dynamics Simulations. Proteins: Structure, Function, and Bioinformatics 82 (10): 2353–63. doi:10.1002/prot.24596.

Todde, Guido, Christopher Whitman, Sven Hovmöller, and Aatto Laaksonen. 2014. Induced Ice Melting by the Snow Flea Antifreeze Protein from Molecular Dynamics Simulations. The Journal of Physical Chemistry B 118 (47): 13527–34. doi:10.1021/jp508992e.

Todde, Guido, Sven Hovmöller, and Aatto Laaksonen. 2015. Influence of Antifreeze Proteins on the Ice/Water Interface. The Journal of Physical Chemistry B 119 (8): 3407–13. doi:10.1021/jp5119713.

Rebič, Matúš, Francesca Mocci, Aatto Laaksonen, and Jozef Uličný. 2015. Multiscale Simulations of Human Telomeric G-Quadruplex DNA. The Journal of Physical Chemistry B 119 (1): 105–13. doi:10.1021/jp5103274.

Naômé, Aymeric, Aatto Laaksonen, and Daniel P. Vercauteren. 2015. A Coarse-Grained Simulation Study of the Structures, Energetics, and Dynamics of Linear and Circular DNA with Its Ions. Journal of Chemical Theory and Computation 11 (6): 2813–26. doi:10.1021/acs.jctc.5b00113.

Fossépré, Mathieu, Laurence Leherte, Aatto Laaksonen, and Daniel P Vercauteren. 2014. On the Modularity of the Intrinsic Flexibility of the µ Opioid Receptor: A Computational Study. Edited by Pratul K. Agarwal. PLoS ONE 9 (12): e115856. doi:10.1371/journal.pone.0115856.

Mocci, Francesca, and Aatto Laaksonen. 2015. Combining MD Simulations and NMR Spectroscopy for Molecular Insight and Methodological Synergy: The Integrated MD-NMR Method. In Nuclear Magnetic Resonance Volume 44, edited by K Kamienska-Trela, 592–616. Cambridge: Royal Society of Chemistry. doi:10.1039/9781782622758-00592.

Rebič, Matúš, Aatto Laaksonen, Jiří Šponer, Jozef Uličný, and Francesca Mocci. 2016. Molecular Dynamics Simulation Study of Parallel Telomeric DNA Quadruplexes at Different Ionic Strengths: Evaluation of Water and Ion Models. The Journal of Physical Chemistry B 120(30):7380–91. http://pubs.acs.org/doi/abs/10.1021/acs.jpcb.6b06485

Golets, Mikhail, Manishkumar R Shimpi, Yong-Lei Wang, Oleg N Antzutkin, Sergei Glavatskih, and Aatto Laaksonen. 2016. Understanding the Thermal Decomposition Mechanism of a Halogen-Free Chelated Orthoborate-Based Ionic Liquid: A Combined Computational and Experimental Study. Phys. Chem. Chem. Phys. 18(32):22458–66. http://xlink.rsc.org/?DOI=C6CP03191A

Fossépré, Mathieu, Laurence Leherte, Aatto Laaksonen, and Daniel P Vercauteren. 2016. Multiscale Design of Coarse-Grained Elastic Network-Based Potentials for the μ Opioid Receptor. Journal of Molecular Modeling 22(9):227. http://link.springer.com/10.1007/s00894-016-3092-z

Rebič, Matúš, Francesca Mocci, Jozef Uličný, Alexander P Lyubartsev, and Aatto Laaksonen. 2017. Coarse-Grained Simulation of Rodlike Higher-Order Quadruplex Structures at Different Salt Concentrations. ACS Omega 2(2):386–96. http://pubs.acs.org/doi/abs/10.1021/acsomega.6b00419