Compact Representation of Continuous Energy Surfaces for More Efficient Protein Design
نویسندگان
چکیده
منابع مشابه
Compact Representation of Continuous Energy Surfaces for More Efficient Protein Design.
In macromolecular design, conformational energies are sensitive to small changes in atom coordinates; thus, modeling the small, continuous motions of atoms around low-energy wells confers a substantial advantage in structural accuracy. However, modeling these motions comes at the cost of a very large number of energy function calls, which form the bottleneck in the design calculations. In this ...
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ژورنال
عنوان ژورنال: Journal of Chemical Theory and Computation
سال: 2015
ISSN: 1549-9618,1549-9626
DOI: 10.1021/ct501031m