Partition coefficients of methylated DNA bases obtained from free energy calculations with molecular electron density derived atomic charges
Author:
Affiliation:
1. Departamento de Físico-Química, Facultad de Ciencias Químicas; Universidad de Concepción; Chile
Funder
FONDECYT
National Doctoral scholarship CONICYT
Publisher
Wiley
Subject
Computational Mathematics,General Chemistry
Link
http://onlinelibrary.wiley.com/wol1/doi/10.1002/jcc.25347/fullpdf
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1. Calculating log Poct from structures
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5. All-Atom Empirical Potential for Molecular Modeling and Dynamics Studies of Proteins
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