Calculating Protein-Ligand Residence Times Through State Predictive Information Bottleneck based Enhanced Sampling
Preprint in bioRxiv (April 2024)
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Assessment of Kaistella jeonii esterase conformational dynamics in response to poly(ethylene terephthalate) binding
Article in Current Research in Structural Biology (February 2024)
Site‐Identification by Ligand Competitive Saturation as a Paradigm of Co‐solvent MD Methods
Book chapter (January 2024)