Molecular Modeling Lab

EDES Publications

List of EDES publications

Paper: Holo-like and Druggable Protein Conformations from Enhanced Sampling of Binding Pocket Volume and Shape

https://pubs.acs.org/doi/10.1021/acs.jcim.8b00730

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Recent Posts

python with conda

A very short guide for installing python packages (pymol in this example) as a non-privileged

Enhanced Sampling of Binding Pocket Volume and Shape (tutorial)

In this page you can find the Enhanced Sampling of Binding and Pocket Volume and

Paper: Holo-like and Druggable Protein Conformations from Enhanced Sampling of Binding Pocket Volume and Shape

https://pubs.acs.org/doi/10.1021/acs.jcim.8b00730

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Giuliano Malloci

Attilio Vittorio Vargiu

Paolo Ruggerone