Fedor, Justin G.;Jones, Andrew J. Y.;Di Luca, Andrea;Kaila, Ville R. I.;Hirst, Judy
Correlating kinetic and structural data on ubiquinone binding and reduction by respiratory complex I
Proceedings of the National Academy of Sciences
2017
114
48
12737-12742

Di Luca, Andrea;Gamiz-Hernandez, Ana P.;Kaila, Ville R. I.
Symmetry-related proton transfer pathways in respiratory complex I
Proceedings of the National Academy of Sciences
2017
114
31
E6314-E6321

Suomivuori, Carl-Mikael;Gamiz-Hernandez, Ana P.;Sundholm, Dage;Kaila, Ville R. I.
Energetics and dynamics of a light-driven sodium-pumping rhodopsin
Proceedings of the National Academy of Sciences
2017
114
27
7043-7048

Zhang, Qi;Catti, Lorenzo;Kaila, Ville R. I.;Tiefenbacher, Konrad
To catalyze or not to catalyze: elucidation of the subtle differences between the hexameric capsules of pyrogallolarene and resorcinarene
Chemical Science
2017
8
2
1653-1657

Kaila, Ville R. I.
Chapter 4. Multi-scale Molecular Simulations on Respiratory Complex I
Mechanisms of Primary Energy Transduction in Biology
Royal Society of Chemistry

Gamiz-Hernandez, Ana P.;Jussupow, Alexander;Johansson, Mikael P.;Kaila, Ville R. I.
Terminal Electron–Proton Transfer Dynamics in the Quinone Reduction of Respiratory Complex I
Journal of the American Chemical Society
2017
139
45
16282-16288

Supekar, S.;Papageorgiou, A. C.;Gemmecker, G.;Peltzer, R.;Johansson, M. P.;Tripsianes, K.;Sattler, M.;Kaila, V. R. I.
Conformational Selection of Dimethylarginine Recognition by the Survival Motor Neuron Tudor Domain
Angewandte Chemie-International Edition
2018
57
2
486-490

Luo, Qi;Boczek, Edgar E.;Wang, Qi;Buchner, Johannes;Kaila, Ville R. I.
Hsp90 dependence of a kinase is determined by its conformational landscape
Scientific Reports
2017
7
43996

Wittwer, Matthias;Luo, Qi;Kaila, Ville R. I.;Dames, Sonja A.
Oxidative Unfolding of the Rubredoxin Domain and the Natively Disordered N-terminal Region Regulate the Catalytic Activity ofMycobacterium tuberculosisProtein Kinase G
Journal of Biological Chemistry
2016
291
53
27062-27072

Suomivuori, Carl-Mikael;Winter, Nina O. C.;Hättig, Christof;Sundholm, Dage;Kaila, Ville R. I.
Exploring the Light-Capturing Properties of Photosynthetic Chlorophyll Clusters Using Large-Scale Correlated Calculations
Journal of Chemical Theory and Computation
2016
12
6
2644-2651