The chain build‐up procedure in computing the structures of biologically active polypeptides and proteins

Matthew R. Pincus

doi:10.1002/qua.560340719

The chain build‐up procedure in computing the structures of biologically active polypeptides and proteins

Matthew R. Pincus

Research output: Contribution to journal › Article › peer-review

17 Scopus citations

Abstract

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.

Original language	English
Pages (from-to)	209-220
Number of pages	12
Journal	International Journal of Quantum Chemistry
Volume	34
Issue number	15 S
DOIs	https://doi.org/10.1002/qua.560340719
State	Published - 1988
Externally published	Yes

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title = "The chain build‐up procedure in computing the structures of biologically active polypeptides and proteins",

abstract = "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.",

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SP - 209

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JO - International Journal of Quantum Chemistry

JF - International Journal of Quantum Chemistry

IS - 15 S

ER -

The chain build‐up procedure in computing the structures of biologically active polypeptides and proteins

Abstract

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