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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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study their structures and dynamics using multi-scale simulations, which include all-atom molecular dynamics (MD) simulations, coarse-grained MD simulations, quantum mechanics/molecular mechanics (QM/MM
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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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the project. Preferred: Skills and experience in molecular spectral analysis. Knowledge of molecular theory and spectral modeling. Excellent problem-solving and communication skills. Excellent written, oral
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independently while contributing creatively and collaboratively to a team environment. We Offer A dynamic, interdisciplinary research environment within the Lundby Group, dedicated to advancing molecular insights
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(https://in.ku.dk/). We offer creative and stimulating working conditions in dynamic and international research environment. Our research facilities include modern laboratories, zebrafish research facility
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and optimising its application to identify new ATXN3-binding molecules (warheads) for experimental evaluation. The plan will involve: a) Model Preparation, Molecular Dynamics Simulations and
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) points; b) Experience in molecular simulation methods, such as molecular dynamics, molecular docking, virtual screenig, and free energy calculations; c) Experience with molecular-based artificial
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technology. Development of cutting edge foundation models for protein design, small molecule property prediction, or protein function prediction Data generation and curation, including molecular simulation and
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molecular dynamics (MD) simulations, for example using GROMACS or transition path sampling (TPS) to analyze structural changes over time. Experience in contributing to collaborative research is a plus