Efficient Conformational Search Method for Peptides and Proteins: Monte Carlo Minimization with an Adaptive Bias

  • Ozkan S
  • Meirovitch H
  • 12


    Mendeley users who have this article in their library.
  • 10


    Citations of this article.


The energy function of a protein consists of a tremendous number of minima. Locating the global energy minimum (GEM), which corresponds to the native structure, is a severe problem in global optimization. The commonly used Monte Carlo minimization (MCM) method is based on a random selection of torsional angle values. We suggest selecting these values with biased probabilities depending on the increased structure- energy correlations as the GEM is approached during the search. Our method applied to models of the 5-residue peptide Leu-enkephalin finds the GEM ∼2.7 faster than MCM

Get free article suggestions today

Mendeley saves you time finding and organizing research

Sign up here
Already have an account ?Sign in

Find this document

Get full text


  • S Banu Ozkan

  • Hagai Meirovitch

Cite this document

Choose a citation style from the tabs below

Save time finding and organizing research with Mendeley

Sign up for free