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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PNAS paper by Ioana


Together with HIMS Vibrational Spectroscopy, Ioana has published a paper about how water guides the assembly of collagen, the building block of all humans. Check out the highlight by HIMS and the article. Congrats, Ioana!

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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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Structure prediction of a bacterial spore membrane protein


Dr Jocelyne Vreede of the research group Computational Chemistry at the Van ‘t Hoff Institute for Molecular Sciences (HIMS) worked together with researchers at the UvA’s Swammerdam Institute for Life Sciences (SILS) to elucidate the structure and dynamics of the spore membrane protein GerAB from the bacterium Bacillus subtilis. The study contributes to a better […]

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