Long-range proton-coupled electron transfer in biological energy conversion: towards mechanistic understanding of respiratory complex I

od Kaila, Ville R. I.
izdano v J R Soc Interface (2018)

Energetics and dynamics of proton transfer reactions along short water wires

od Kaila, Ville R. I., Hummer, Gerhard
Izdano 2011

Dewetting transitions coupled to K-channel activation in cytochrome c oxidase

od Supekar, Shreyas, Kaila, Ville R. I.
izdano v Chem Sci (2018)

Molecular dynamics and structural models of the cyanobacterial NDH-1 complex

od Saura, Patricia, Kaila, Ville R.I.
izdano v Biochim Biophys Acta Bioenerg (2019)

Energetics and Dynamics of Proton-Coupled Electron Transfer in the NADH/FMN Site of Respiratory Complex I

od Saura, Patricia, Kaila, Ville R. I.
izdano v J Am Chem Soc (2019)

Reduction of the virtual space for coupled-cluster excitation energies of large molecules and embedded systems

od Send, Robert, Kaila, Ville R. I., Sundholm, Dage
Izdano 2011

Electrostatics, hydration, and proton transfer dynamics in the membrane domain of respiratory complex I

od Kaila, Ville R. I., Wikström, Mårten, Hummer, Gerhard
Izdano 2014

How cardiolipin modulates the dynamics of respiratory complex I

od Jussupow, Alexander, Di Luca, Andrea, Kaila, Ville R. I.
izdano v Sci Adv (2019)

To catalyze or not to catalyze: elucidation of the subtle differences between the hexameric capsules of pyrogallolarene and resorcinarene

od Zhang, Qi, Catti, Lorenzo, Kaila, Ville R. I., Tiefenbacher, Konrad
izdano v Chem Sci (2017)

Benchmarking the performance of time-dependent density functional theory methods on biochromophores

od Shao, Yihan, Mei, Ye, Sundholm, Dage, Kaila, Ville R. I.
izdano v J Chem Theory Comput (2019)

Glutamic acid 242 is a valve in the proton pump of cytochrome c oxidase

od Kaila, Ville R. I., Verkhovsky, Michael I., Hummer, Gerhard, Wikström, Mårten
Izdano 2008

Interheme electron tunneling in cytochrome c oxidase

od Kaila, Ville R. I., Johansson, Mikael P., Sundholm, Dage, Wikström, Mårten
Izdano 2010

Oxidative Unfolding of the Rubredoxin Domain and the Natively Disordered N-terminal Region Regulate the Catalytic Activity of Mycobacterium tuberculosis Protein Kinase G

od Wittwer, Matthias, Luo, Qi, Kaila, Ville R. I., Dames, Sonja A.
izdano v J Biol Chem (2016)

Symmetry-related proton transfer pathways in respiratory complex I

od Di Luca, Andrea, Gamiz-Hernandez, Ana P., Kaila, Ville R. I.
izdano v Proc Natl Acad Sci U S A (2017)

Catalytic mechanism and molecular engineering of quinolone biosynthesis in dioxygenase AsqJ

od Mader, Sophie L., Bräuer, Alois, Groll, Michael, Kaila, Ville R. I.
izdano v Nat Commun (2018)

How inter-subunit contacts in the membrane domain of complex I affect proton transfer energetics

od Di Luca, Andrea, Mühlbauer, Max E., Saura, Patricia, Kaila, Ville R.I.
izdano v Biochim Biophys Acta Bioenerg (2018)

Hsp90 dependence of a kinase is determined by its conformational landscape

od Luo, Qi, Boczek, Edgar E., Wang, Qi, Buchner, Johannes, Kaila, Ville R. I.
izdano v Sci Rep (2017)

Energetics and dynamics of a light-driven sodium-pumping rhodopsin

od Suomivuori, Carl-Mikael, Gamiz-Hernandez, Ana P., Sundholm, Dage, Kaila, Ville R. I.
izdano v Proc Natl Acad Sci U S A (2017)

Terminal Electron–Proton Transfer Dynamics in the Quinone Reduction of Respiratory Complex I

od Gamiz-Hernandez, Ana P., Jussupow, Alexander, Johansson, Mikael P., Kaila, Ville R. I.
izdano v J Am Chem Soc (2017)

Electric field modulated redox-driven protonation and hydration energetics in energy converting enzymes†

od Saura, Patricia, Frey, Daniel M., Gamiz-Hernandez, Ana P., Kaila, Ville R. I.
izdano v Chem Commun (Camb) (2019)