-
, the primary unit of chromatin, using classical all-atom molecular dynamics simulations. The nucleosome is composed of a double-stranded DNA fragment wrapped around a protein core consisting of eight histones
-
related), molecular dynamics (GROMACS, NAMD) and docking (VINA and derivatives). - Proficiency in Python and Fortran languages and Bash scripting. - Proficiency in RDKIT and BioPython. - Proficiency in
-
optimization code used, particularly for automated transition state searches. • Perform molecular dynamics simulations to estimate thermodynamic/macroscopic properties. IPREM brings together over 300 staff
-
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
-
high-resolution microscopy • Mammalian cell culture and genetic manipulation • Molecular and biochemical assays • Quantitative analysis of intracellular trafficking dynamics The project will be carried
-
collective dissipative dynamics in quantum emitter systems (such as cold atoms) strongly coupled to a driven cavity, while accounting for motion-related degrees of freedom. The focus will be on developing
-
with surface science. Experience with molecular dynamics simulations and at least basic knowledge of machine-learning approaches for atomistic modeling are highly desirable. Skills in Python and
-
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
-
) 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
-
(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