Molecular flexibility in computational protein design: an algorithmic perspective
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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ژورنال
عنوان ژورنال: Protein Engineering, Design and Selection
سال: 2021
ISSN: 1741-0126,1741-0134
DOI: 10.1093/protein/gzab011