Van 't Hoff Institute for Molecular Sciences University of Amsterdam
Youri, David and their international collaborators present RASPA3 in their new article in the Journal of Chemical Physics: RASPA3: A Monte Carlo code for computing adsorption and diffusion in nanoporous materials and thermodynamics properties of fluids
Read moreTamika has published a new paper about the “Experimental validation of a reaction network model for autoxidation of linoleate esters“. CompChem alumni Yuliia Orlova and Becca Harmon are also authors, as well as HIMS researchers Joen Hermans , Alessa Gambardella, and Piet Iedema. Congrats, Tamika!
Read moreIn 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 […]
Read moreIn 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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