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optimization code used, particularly for automated transition state searches. • Perform molecular dynamics simulations to estimate thermodynamic/macroscopic properties. IPREM brings together over 300 staff
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cellular biology approaches, this project aims to identify the fundamental molecular and physical principles governing lipid homeostasis and organelle dynamics. The project is based on an interdisciplinary
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, brings together around 300 people and is one of the leading centers for fundamental research in biology in the Paris region. The host team (https://www.ijm.fr/recherche/duharcourt-lab-vf/ ) is particularly
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quantum chemistry, molecular and reaction dynamics, synthetic organic chemists, physical-chemical experimentalists (spectroscopy, photochemistry, molecular recognition and analysis), working in 10 research
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) the creation of new-based DNA nanostructures as a molecular template to hold proteins to facilitate molecular imaging by single-particle Cryo-Electron Microscopy (Cryo-EM) (2) the development of DNA-based nano
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(based for instance on classical and/or ab initio molecular dynamics, combined with ONIOM-type QM/MM approaches) to gain deeper insight into the structure of the HFIP solvent, its coordination properties
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eliminate early signs of cancer. To try to understand the origin of this increased efficiency in mAb–CD16 binding, we have undertaken molecular dynamics calculations. The mission of the recruited researcher
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Polymers using a combination of quantum and force field-based simulations that will be further integrated into a force field-based Molecular Dynamics (MD) approaches to assess the permeability and
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presence or absence of TSPANC8 proteins. ADAM10 dynamics, as measured by SMT, will help to understand this molecular landscape. This project is funded by an INCA French grant. References - Fernandez et al
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performing atomistic simulations with Density Functional Theory and Molecular Dynamics. Data analysis and coarse graining in order to provide parametrisations for upper scale models (Kinetic Monte Carlo and