Computational evaluation of protein–small molecule binding
نویسندگان
چکیده
منابع مشابه
Computational Modeling of Small Molecule Ligand Binding Interactions and Affinities.
Understanding and controlling biological phenomena via structure-based drug screening efforts often critically rely on accurate description of protein-ligand interactions. However, most of the currently available computational techniques are affected by severe deficiencies in both protein and ligand conformational sampling as well as in the scoring of the obtained docking solutions. To overcome...
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ژورنال
عنوان ژورنال: Current Opinion in Structural Biology
سال: 2009
ISSN: 0959-440X
DOI: 10.1016/j.sbi.2008.11.009