Project
Alternative targets for Antibiotics, fighting infection with higher specificity
Antibiotic resistant is a global problem that will only increase over time and is further highly relevant for the tuberculosis patients of South Africa.
Publication
Heterogeneous dynamics of ionic liquids in confined films with varied film thickness
Yong-Lei Wang, Zhong-Yuan Lu and Aatto Laaksonen. 2014. Heterogeneous dynamics of ionic liquids in confined films with varied film thickness...
Publication
Atomistic Insight into Orthoborate-Based Ionic Liquids: Force Field Development and Evaluation
YL Wang, FU Shah, S Glavatskih, ON Antzutkin and A Laaksonen. 2014. Atomistic Insight into Orthoborate-Based Ionic Liquids: Force Field Deve...
Publication
Glucose oxidase from Penicillium amagasakiense: Characterization of the transition state of its denaturation from molecular dynamics simulations
Guido Todde, Sven Hovmöller, Aatto Laaksonen and Francesca Mocci. 2014. Glucose oxidase from Penicillium amagasakiense: Characterization of ...
Publication
Atomistic Insight into Tetraalkylphosphonium-Bis(oxalato)borate Ionic Liquid/Water Mixtures
Wang, Yong-Lei, Sten Sarman, Sergei Glavatskih, Oleg N. Antzutkin, Mark W. Rutland, and Aatto Laaksonen. 2015. Atomistic Insight into Tetraa...
Publication
Interfacial Structure and Orientation of Confined Ionic Liquids on Charged Quartz Surfaces
Wang, Yong-Lei, and Aatto Laaksonen. 2014. Interfacial Structure and Orientation of Confined Ionic Liquids on Charged Quartz Surfaces. Phys....
Publication
Influence of Antifreeze Proteins on the Ice/Water Interface
Todde, Guido, Sven Hovmöller, and Aatto Laaksonen. 2015. Influence of Antifreeze Proteins on the Ice/Water Interface. The Journal of Physica...
Publication
Glucose Oxidase from Penicillium Amagasakiense : Characterization of the Transition State of Its Denaturation from Molecular Dynamics Simulations
Todde, Guido, Sven Hovmöller, Aatto Laaksonen, and Francesca Mocci. 2014. Glucose Oxidase from Penicillium Amagasakiense : Characterization ...
Publication
Induced Ice Melting by the Snow Flea Antifreeze Protein from Molecular Dynamics Simulations
Todde, Guido, Christopher Whitman, Sven Hovmöller, and Aatto Laaksonen. 2014. Induced Ice Melting by the Snow Flea Antifreeze Protein from M...
Publication
Multiscale Simulations of Human Telomeric G-Quadruplex DNA
Rebič, Matúš, Francesca Mocci, Aatto Laaksonen, and Jozef Uličný. 2015. Multiscale Simulations of Human Telomeric G-Quadruplex DNA. The Jour...
Publication
A Coarse-Grained Simulation Study of the Structures, Energetics, and Dynamics of Linear and Circular DNA with Its Ions
Naômé, Aymeric, Aatto Laaksonen, and Daniel P. Vercauteren. 2015. A Coarse-Grained Simulation Study of the Structures, Energetics, and Dynam...
Publication
On the Modularity of the Intrinsic Flexibility of the µ Opioid Receptor: A Computational Study
Fossépré, Mathieu, Laurence Leherte, Aatto Laaksonen, and Daniel P Vercauteren. 2014. On the Modularity of the Intrinsic Flexibility of the ...
Publication
Combining MD Simulations and NMR Spectroscopy for Molecular Insight and Methodological Synergy: The Integrated MD-NMR Method
Mocci, Francesca, and Aatto Laaksonen. 2015. Combining MD Simulations and NMR Spectroscopy for Molecular Insight and Methodological Synergy:...
Publication
Molecular Dynamics Simulation Study of Parallel Telomeric DNA Quadruplexes at Different Ionic Strengths: Evaluation of Water and Ion Models
Rebič, Matúš, Aatto Laaksonen, Jiří Šponer, Jozef Uličný, and Francesca Mocci. 2016. Molecular Dynamics Simulation Study of Parallel Telomer...
Publication
Understanding the Thermal Decomposition Mechanism of a Halogen-Free Chelated Orthoborate-Based Ionic Liquid: A Combined Computational and Experimental Study
Golets, Mikhail, Manishkumar R Shimpi, Yong-Lei Wang, Oleg N Antzutkin, Sergei Glavatskih, and Aatto Laaksonen. 2016. Understanding the Ther...
Publication
Coarse-Grained Simulation of Rodlike Higher-Order Quadruplex Structures at Different Salt Concentrations
Rebič, Matúš, Francesca Mocci, Jozef Uličný, Alexander P Lyubartsev, and Aatto Laaksonen. 2017. Coarse-Grained Simulation of Rodlike Higher-...