NWO XL funding for Jocelyne Vreede to develop light-controlled molecular machines


Dr Jocelyne Vreede has just been awarded funding from the Dutch Research Council NWO to take the next steps in developing light-controlled molecular machines. The team, including Nobel Laureate Prof. Ben Feringa, aims to demonstrate the first light-controlled artificial muscles and conveyor belts. Led by Dr Iddo Heller at Vrije Universiteit Amsterdam, the team has […]

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Enhanced sampling strategies for molecular simulation of DNA


In a review paper that has been recently published in WIREs Computational Molecular Science, researchers of the Computational Science group at the Van ‘t Hoff Institute for Molecular Sciences describe successful approaches for simulating molecular systems involving DNA. They show how these can be combined in several ways to tackle complex DNA transitions, integrating information […]

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ChemBioChem article by Carlo, Ioana & Jocelyne


In collaboration with researchers at VU Amsterdam, our group members Carlo Bigiotti, Ioana Ilie and Jocelyne Vreede have published an article in ChemBioChem titled Binding Dynamics of a Stapled Peptide Targeting the Transcription Factor NF−Y. In this paper, they investigate how truncated stapled α-helical peptides interact with the transcription factor Nuclear Factor-Y. Via molecular dynamics […]

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Predicting dissociation free energies of protein-DNA complexes


Sequence-specific protein–DNA interactions are crucial in processes such as DNA organization, gene regulation and DNA replication. Thor van Heesch, Peter Bolhuis and Jocelyne Vreede have developed a molecular simulation approach to quantify the sequence specificity of protein–DNA complexes, that yields results fast, and is generally applicable to any protein–DNA complex. The approach is based on molecular […]

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