Applying Side-chain Flexibility in Motifs for Protein Docking
نویسندگان
چکیده
منابع مشابه
Applying Side-chain Flexibility in Motifs for Protein Docking
Conventional rigid docking algorithms have been unsatisfactory in their computational results, largely due to the fact that protein structures are flexible in live environments. In response, we propose to introduce the side-chain flexibility in protein motif into the docking. First, the Morse theory is applied to curvature labeling and surface region growing, for segmentation of the protein sur...
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Protein-small molecule docking algorithms provide a means to model the structure of protein-small molecule complexes in structural detail and play an important role in drug development. In recent years the necessity of simulating protein side-chain flexibility for an accurate prediction of the protein-small molecule interfaces has become apparent, and an increasing number of docking algorithms ...
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We study the impact of optimizing the side-chain positions in the interface region between two proteins during the process of binding. Mathematically, the problem is similar to side-chain prediction, which has been extensively explored in the process of protein structure prediction. The protein-protein docking application, however, has a number of characteristics that necessitate different algo...
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ژورنال
عنوان ژورنال: Genomics Insights
سال: 2015
ISSN: 1178-6310,1178-6310
DOI: 10.4137/gei.s29821