Sort by
Refine Your Search
-
Listed
-
Category
-
Country
-
Program
-
Field
-
: Computational biophysics, drug delivery, protein design Keywords:Computer simulations, coarse-grained model, molecular dynamics, membrane fusion, fusion protein, protein design Funding of the PhD candidate: ERC
-
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
-
: 10.1038/s41467-023-39181-2 Research area: Computational biophysics, drug delivery, protein design Keywords:Computer simulations, coarse-grained model, molecular dynamics, membrane fusion, fusion protein
-
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
-
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 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
-
, aiming at the computational modelling using classical and ab initio molecular dynamics structure and dynamics of electrolytes at charged interfaces. 2. Applicable Legislation Decree-Law no. 57/2016
-
computational biophysics Machine learning and data analysis for biological systems Biomedical imaging and signal processing Molecular modeling and simulations AI applications in bioinformatics or health sciences
-
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
-
) 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