Articles with "standard docking" as a keyword



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Evaluating the conformational space of the active site of D2 dopamine receptor. Scope and limitations of the standard docking methods

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Published in 2022 at "Journal of Computational Chemistry"

DOI: 10.1002/jcc.26938

Abstract: We report here for the first time the potential energy surfaces (PES) of phenyletilamine (PEA) and meta‐tyramine (m‐OH‐PEA) at the D2 dopamine receptor (D2DR) binding site. PESs not only allow us to observe all the… read more here.

Keywords: standard docking; dopamine receptor; evaluating conformational; site ... See more keywords