Kaila, Ville R. I.

Natural selection for least action

Kaila, V. R. I., & Annila, A. (2008) · Proceedings of the Royal Society A: Mathematical, Physical and Engineering Sciences

Advanced Thermodynamics and Statistical MechanicsPhilosophy of Biology and Scientific Explanation

Cited by 153

Effective Molecular Dynamics from Neural-Network Based Structure Prediction Models

Jussupow, A., & Kaila, V. R. I. (2022) · Journal of Chemical Theory and Computation

Protein Structure and DynamicsComputational Drug Discovery Methods

Cited by 42

Effective Molecular Dynamics from Neural Network-Based Structure Prediction Models

Jussupow, A., & Kaila, V. R. I. (2023) · Journal of Chemical Theory and Computation

Protein Structure and DynamicsComputational Drug Discovery Methods

Cited by 42

A methylated lysine is a switch point for conformational communication in the chaperone Hsp90

Rehn, A., Lawatscheck, J., Jokisch, M.-L., Mader, S. L., Luo, Q., Tippel, F., Blank, B., Richter, K., Lang, K., Kaila, V. R. I., et al. (2020) · Nature Communications

Heat shock proteins researchProtein Structure and Dynamics

Cited by 38

A switch point in the molecular chaperone Hsp90 responding to client interaction

Rutz, D. A., Luo, Q., Freiburger, L., Madl, T., Kaila, V. R. I., Sattler, M., & Buchner, J. (2018) · Nature Communications

Heat shock proteins researchProtein Structure and Dynamics

Cited by 37

Molecular principles of redox-coupled sodium pumping of the ancient Rnf machinery

Kumar, A., Roth, J., Kim, H., Saura, P., Bohn, S., Reif-Trauttmansdorff, T., Schubert, A., Kaila, V. R. I., Schuller, J. M., & Müller, V. (2024) · Nature Communications

Metalloenzymes and iron-sulfur proteinsEnzyme Structure and Function

Cited by 24

Molecular principles of redox-coupled sodium pumping of the ancient Rnf machinery

Kumar, A., Roth, J., Kim, H., Saura, P., Bohn, S., Reif-Trauttmansdorff, T., Schubert, A., Kaila, V. R. I., Schuller, J. M., & Müller, V. (2025) · Nature Communications

Metalloenzymes and iron-sulfur proteinsEnzyme Structure and Function

Cited by 24

The Mycobacterium smegmatis bd -II terminal oxidase employs a carboxylate shift mechanism

Kovalova, T., Janczak, M., Gamiz-Hernandez, A. P., Lundin, D., Sharma, S., Vilhjálmsdóttir, J., Sjöstrand, D., Kaila, V. R. I., Högbom, M., & Ädelroth, P. (2026) · Proceedings of the National Academy of Sciences

Metal-Catalyzed Oxygenation MechanismsEnzyme Structure and Function

Cited by 1

The Mycobacterium smegmatis bd -II terminal oxidase employs a carboxylate shift mechanism

Kovalova, T., Janczak, M., Gamiz-Hernandez, A. P., Lundin, D., Sharma, S., Vilhjálmsdóttir, J., Sjöstrand, D., Kaila, V. R. I., Högbom, M., & Ädelroth, P. (2025) · Proceedings of the National Academy of Sciences

Metal-Catalyzed Oxygenation MechanismsEnzyme Structure and Function

Cited by 1