Cálculo de hidrofobicidades de aminoácidos apolares

RENZI, DANILO; VERICAT FERNANDO

Huerta Grande, Córdoba

Congreso; 87 Reunión Nacional de Física de la Asociación Física Argentina; 2002

Solvation properties of the amino acids alanine, valine, leucine and phenylalanine in water and in methanol at infinite dilution have been studied by using molecular dynamics simulations. The free energy transfer of the solutes from water to methanol has been calculated by means of a slow-growth technique and the results compared with diverse hydrophobicity scales available in the literature.