In Print: Bioinformatics Tool-Related Papers of Note, Feb. 2005 | GenomeWeb

Cheluvaraja S, Meirovitch H. Calculation of the entropy and free energy by the hypothetical scanning Monte Carlo method: Application to peptides. [J Chem Phys. 2005 Feb;122(5):54903]: Applies the hypothetical scanning Monte Carlo approach to calculate the absolute entropy and free energy of peptide chains in vacuum. The authors’ long-term goal is to extend the method to any peptide and apply it to a peptide immersed in a box with explicit water.

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