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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Vacancy for a postdoc in biomolecular simulation


Do you enjoy working in an interdisciplinary research setting? Do you like studying problems in molecular biology using chemical knowledge, algorithms and high performance computing? The Computational Chemistry group is looking for an ambitious postdoctoral researcher with experience in biomolecular simulation. Your research will be part of the group headed by Jocelyne Vreede. https://vacatures.uva.nl/UvA/job/Postdoctoral-Researcher-in-Molecular-Simulations-of-Protein-DNA-Complexes/748952802/

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Andrew Ferguson visiting professor at Amsterdam Centre for Multiscale Modelling


Andrew Ferguson, Associate Professor at the Fritzker School of Molecular Engineering of the University of Chicago, has been appointed visiting professor in Computational Science at the Amsterdam Centre for Multiscale Modelling. He will be hosted by the Computational Chemistry group at the University of Amsterdam’s Van ‘t Hoff Institute for Molecular Sciences. The Amsterdam Centre […]

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Cum Laude for chemistry PhD graduate Alberto Pérez de Alba Ortíz


On 22 September, Alberto Pérez de Alba Ortíz successfully defended his PhD thesis entitled ‘Traversing the free-energy pathways of intricate biomolecular processes – enhanced simulation development and applications’. He was awarded the doctor’s title with the distinction ‘cum laude’ for remarkable research leading to new understanding of various biomolecular processes. In addition, he developed powerful […]

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