Protein structures were downloaded from the Protein Data Bank (pdb; (www.rcsb.org). For the PPARγ study both the DA (pdb id 3U9Q) and Rosiglitazone (pdb id 1FM6) structures were used during the ...
Enhanced sampling methods such as metadynamics and umbrella sampling have become essential tools for exploring the configuration space of molecules and materials. At the same time, they have long ...
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