Supplement Number 1

https://doi.org/10.60893/figshare.jcp.30379765

journal contribution

posted on 2025-11-04, 13:08 authored by Amal Vijay, Giacomo Salvadori, Frank Biedermann, Giulia Rossetti, Paolo Carloni, Davide Mandelli

Supplemetary Information, including additional reuslts, figures, and methods description

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DOI - Is supplement to Fine Tuning of Long-Range Interactions to describe the Binding of Adamantane and Diamantane Derivatives to a Cucurbit[7]uril-Based Synthetic Receptor: Insights from Metadynamics Simulations

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Physical sciences

Keywords

molecular dynamics metadynamics CB7 host-guest systems binding affinity force field parameterization

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