Binding free energy prediction in strongly hydrophobic biomolecular systems
Abstract
We present a comparison of various computational approaches aiming at predicting the binding free energy in
* Corresponding authors
a
LCMBA, Faculté des sciences de Nice – Sophia Antipolis, Centre National de la Recherche Scientifique, UMR 6001, Université de Nice-Sophia-Antipolis, UFR Sciences, Parc Valrose, 28, avenue Valrose, Nice Cedex 2, France
E-mail:
jerome.golebiowski@unice.fr
Fax: +33 4 92 07 61 25
Tel: +33 4 92 07 61 03
b NOPA BOG, UMR1197, INRA – Université Paris XI, Domaine de Vilvert, Jouy en Josas Cedex, France
We present a comparison of various computational approaches aiming at predicting the binding free energy in
L. Charlier, C. Nespoulous, S. Fiorucci, S. Antonczak and J. Golebiowski, Phys. Chem. Chem. Phys., 2007, 9, 5761 DOI: 10.1039/B710186D
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