Computational structure‐based drug design: Predicting target flexibility
نویسندگان
چکیده
منابع مشابه
Accommodating protein flexibility in computational drug design.
The need to account for the dynamic behavior of a receptor has long been recognized as a complicating factor in computational drug design. The use of a single, rigid protein structure—usually from a high-quality X-ray crystal structure— still is the standard in most applications (Zheng and Kyle, 1997; Walters et al., 1998). The choice to use a single protein structure is usually based on speed....
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Department of General and Inorganic Chemistry, UniVersity of Parma, Via G.P. Usberti 17/A 43100, Parma, Italy, National Institute for Biosystems and Biostructures, Rome, Italy, Department of Medicinal Chemistry and Institute for Structural Biology & Drug DiscoVery, Virginia Commonwealth UniVersity, Richmond, Virginia 23298-0540, Department of Pharmaceutics, UniVersity of Parma, Via GP Usberti 2...
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ژورنال
عنوان ژورنال: WIREs Computational Molecular Science
سال: 2018
ISSN: 1759-0876,1759-0884
DOI: 10.1002/wcms.1367