Biomolecular simulations


Biomolecular changes are prevalent in all aspects of biology. Not only protein folding, but also association and dissociation processes, such as proteins binding to DNA, ligand-binding to receptors, substrate binding/release in enzymatic reactions, and proteins forming multicomponent complexes are basic steps in the living cell. A full molecular understanding in terms of the underlying chemistry […]

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Path-metadynamics with Plumed 2.5


Software to extend Plumed with path-collective variables

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How does the accessibility of DNA affect the expression of genes?


Dr Jocelyne Vreede of the Computational Chemistry group at the Van ‘t Hoff Institute for Molecular Sciences has received an NWO KLEIN-2 grant for a four-year project investigating how the shape and compactness of DNA affect the expression of genes. In cooperation with Prof. Willem Kegel, professor of Self-organizing Systems at Utrecht University, experimental, theoretical […]

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