A Kinetic Transition Network Model Reveals the Diversity of Protein Dimer Formation Mechanisms
Article in Biomolecules (November 2023)
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Incorporating prior knowledge to seeds of adaptive sampling molecular dynamics simulations of ligand transport in enzymes with buried active sites
Preprint in bioRxiv (September 2023)
Temperature Accelerated Sliced Sampling to Probe Ligand Dissociation from Protein
Article in Journal of Chemical Information and Modeling (August 2023)