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

Author(s):

Alla P. Toropova* and Andrey A. Toropov   Pages 1 - 7 ( 7 )

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 to the study peptides and biopolymers are discussed in this review.

Keywords:

Monte Carlo method, conformer, QSPR, QSAR, database.

Affiliation:

Istituto di Ricerche Farmacologiche Mario Negri IRCCS, Via La Masa 19, 20156 Milano, Istituto di Ricerche Farmacologiche Mario Negri IRCCS, Via La Masa 19, 20156 Milano



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