Improving Docking Performance Using Negative Image-Based Rescoring
نویسندگان
چکیده
منابع مشابه
Improving Docking Performance Using Negative Image-Based Rescoring
Despite the large computational costs of molecular docking, the default scoring functions are often unable to recognize the active hits from the inactive molecules in large-scale virtual screening experiments. Thus, even though a correct binding pose might be sampled during the docking, the active compound or its biologically relevant pose is not necessarily given high enough score to arouse th...
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ژورنال
عنوان ژورنال: Frontiers in Pharmacology
سال: 2018
ISSN: 1663-9812
DOI: 10.3389/fphar.2018.00260