ALiBERO: Evolving a Team of Complementary Pocket Conformations Rather than a Single Leader
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چکیده
منابع مشابه
ALiBERO: Evolving a Team of Complementary Pocket Conformations Rather than a Single Leader
Docking and virtual screening (VS) reach maximum potential when the receptor displays the structural changes needed for accurate ligand binding. Unfortunately, these conformational changes are often poorly represented in experimental structures or homology models, debilitating their docking performance. Recently, we have shown that receptors optimized with our LiBERO method (Ligand-guided Backb...
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ژورنال
عنوان ژورنال: Journal of Chemical Information and Modeling
سال: 2012
ISSN: 1549-9596,1549-960X
DOI: 10.1021/ci3001088