کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
2081190 1545207 2006 15 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
Virtual ligand screening: strategies, perspectives and limitations
موضوعات مرتبط
علوم زیستی و بیوفناوری بیوشیمی، ژنتیک و زیست شناسی مولکولی بیوتکنولوژی یا زیست‌فناوری
پیش نمایش صفحه اول مقاله
Virtual ligand screening: strategies, perspectives and limitations
چکیده انگلیسی

In contrast to high-throughput screening, in virtual ligand screening (VS), compounds are selected using computer programs to predict their binding to a target receptor. A key prerequisite is knowledge about the spatial and energetic criteria responsible for protein–ligand binding. The concepts and prerequisites to perform VS are summarized here, and explanations are sought for the enduring limitations of the technology. Target selection, analysis and preparation are discussed, as well as considerations about the compilation of candidate ligand libraries. The tools and strategies of a VS campaign, and the accuracy of scoring and ranking of the results, are also considered.

ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Drug Discovery Today - Volume 11, Issues 13–14, July 2006, Pages 580–594
نویسندگان
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