Multi-Conformer Ensemble Docking to Difficult Protein Targets
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چکیده
منابع مشابه
PubChem3D: conformer ensemble accuracy
UNLABELLED BACKGROUND PubChem is a free and publicly available resource containing substance descriptions and their associated biological activity information. PubChem3D is an extension to PubChem containing computationally-derived three-dimensional (3-D) structures of small molecules. All the tools and services that are a part of PubChem3D rely upon the quality of the 3-D conformer models. ...
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ژورنال
عنوان ژورنال: The Journal of Physical Chemistry B
سال: 2014
ISSN: 1520-6106,1520-5207
DOI: 10.1021/jp506511p