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The chain build‐up procedure in computing the structures of biologically active polypeptides and proteins
Author(s) -
Pincus Matthew R.
Publication year - 1988
Publication title -
international journal of quantum chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.484
H-Index - 105
eISSN - 1097-461X
pISSN - 0020-7608
DOI - 10.1002/qua.560340719
Subject(s) - chain (unit) , substrate (aquarium) , sampling (signal processing) , chemistry , biological system , computational chemistry , energy (signal processing) , combinatorial chemistry , computer science , physics , biology , quantum mechanics , ecology , filter (signal processing) , computer vision
The chain‐buildup method is presented for sampling the low energy conformations of polypeptides and enzyme‐substrate complexes. This method circumvents the multiple minimum problem. It is shown that the method can compute structures in agreement with experiment.