Protein Affinity Pattern Calculations using Protein-Fragment Site Identification by Ligand Competitive Saturation (SILCS)
نویسندگان
چکیده
منابع مشابه
Computational Fragment-Based Binding Site Identification by Ligand Competitive Saturation
Fragment-based drug discovery using NMR and x-ray crystallographic methods has proven utility but also non-trivial time, materials, and labor costs. Current computational fragment-based approaches circumvent these issues but suffer from limited representations of protein flexibility and solvation effects, leading to difficulties with rigorous ranking of fragment affinities. To overcome these li...
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ژورنال
عنوان ژورنال: Biophysical Journal
سال: 2011
ISSN: 0006-3495
DOI: 10.1016/j.bpj.2010.12.3076