A Fragment-Based Scoring Function to Re-rank ATP Docking Results
نویسندگان
چکیده
منابع مشابه
A Fragment-Based Scoring Function to Re-rank ATP Docking Results
ATP is involved in numerous biochemical reactions in living cells interacting with different proteins. Molecular docking simulations provide considerable insight into the problem of molecular recognition of this substrate. To improve the selection of correct ATP poses among those generated by docking algorithms we propose a post-docking reranking criterion. The method is based on detailed analy...
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ژورنال
عنوان ژورنال: International Journal of Molecular Sciences
سال: 2007
ISSN: 1422-0067
DOI: 10.3390/i8111083