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EXPLORING PHASE SPACES OF BIOMOLECULES WITH MONTE CARLO METHODS

A. Butu1,*

Affiliation

  1. National Institute for Research and Development of Biological Sciences, Splaiul Independenei 296, Buchurest, Romania

Abstract

Monte Carlo (MC) methods have become an important tool in biophysics, structural molecular biology and rational drug design. They are used to predict quantities that either cannot be measured directly or when accurate experimental data are difficult to obtain. They are also helpful for the interpretation of experimental results since in a simulation the system of interest can be studied in detail on the molecular level..

Keywords

Monte Carlo method, Biomolecules conformations, Metropolis algoritm.

Submitted at: Jan. 18, 2005
Accepted at: May 26, 2005

Citation

A. Butu, EXPLORING PHASE SPACES OF BIOMOLECULES WITH MONTE CARLO METHODS, Journal of Optoelectronics and Advanced Materials Vol. 7, Iss. 3, pp. 1563-1571 (2005)