Application of the Monte Carlo Method for the Prediction of Behavior of Peptides

Author(s): Alla P. Toropova*, Andrey A. Toropov

Journal Name: Current Protein & Peptide Science

Volume 20 , Issue 12 , 2019


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Abstract:

Prediction of physicochemical and biochemical behavior of peptides is an important and attractive task of the modern natural sciences, since these substances have a key role in life processes. The Monte Carlo technique is a possible way to solve the above task. The Monte Carlo method is a tool with different applications relative to the study of peptides: (i) analysis of the 3D configurations (conformers); (ii) establishment of quantitative structure – property / activity relationships (QSPRs/QSARs); and (iii) development of databases on the biopolymers. Current ideas related to application of the Monte Carlo technique for studying peptides and biopolymers have been discussed in this review.

Keywords: Monte Carlo method, conformer, QSPR, QSAR, database, peptides, biopolymers.

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Article Details

VOLUME: 20
ISSUE: 12
Year: 2019
Published on: 16 December, 2019
Page: [1151 - 1157]
Pages: 7
DOI: 10.2174/1389203720666190123163907
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