Proton powered motors: learning from biology with multi-scale modeling (PROTOMOT) (PROTOMOT)
Main funder
Funder's project number: 311031
Funds granted by main funder (€)
- 473 050,00
Funding program
Project timetable
Project start date: 01/09/2017
Project end date: 31/08/2021
Summary
Technological progress is achieved through miniaturization and ultimately we may have machines that are the size of molecules. To power these nano-machines we obviously need molecular-size motors as well. Because such motors must operate under very different conditions than real-life engines, their design must be radically different as well. Excellent examples of molecular motors can be found in our cells, where special motor-proteins perform all kinds of work to keep the cell alive. In this project, we will investigate a biological nano-motor called ATPase that converts chemical energy into torque. Because this motor is so small and its components move so fast, experiments are very difficult. Therefore, we will use computer simulations instead to reveal the action of this molecular motor in atomic details. With new insights obtained from these simulations, we will also design and test artificial nano-motors that operate based on the same principles as the ATPase protein.
Principal Investigator
Primary responsible unit
Follow-up groups
Related publications and other outputs
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- phbuilder : A Tool for Efficiently Setting up Constant pH Molecular Dynamics Simulations in GROMACS (2024) Jansen, Anton; et al.; A1; OA
- Unraveling viral drug targets : a deep learning-based approach for the identification of potential binding sites (2024) Popov, Petr; et al.; A1; OA
- Molecular dynamics simulations of acids and bases in biomolecular environments (2023) Aho, Noora; G5; OA; 978-951-39-9504-1
- Best Practices in Constant pH MD Simulations : Accuracy and Sampling (2022) Buslaev, Pavel; et al.; A1; OA
- Scalable Constant pH Molecular Dynamics in GROMACS (2022) Aho, Noora; et al.; A1; OA
- Inverse Conformational Selection in Lipid–Protein Binding (2021) Bacle, Amélie; et al.; A1; OA
- A spontaneous mitonuclear epistasis converging on Rieske Fe-S protein exacerbates complex III deficiency in mice (2020) Purhonen, Janne; et al.; A1; OA
- Exploring fast proton transfer events associated with lateral proton diffusion on the surface of membranes (2019) Amdursky, Nadav; et al.; A1; OA
