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Published in 2019 at "Journal of Computer-Aided Molecular Design"
DOI: 10.1007/s10822-019-00257-1
Abstract: We describe a new template-based method for docking flexible ligands such as macrocycles to proteins. It combines Monte-Carlo energy minimization on the manifold, a fast manifold search method, with BRIKARD for complex flexible ligand searching,…
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Keywords:
protocols template;
sampling refinement;
template based;
refinement protocols ... See more keywords