Estimating the Octanol/Water Partition Coefficient for Aliphatic Organic Compounds Using Semi-Empirical Electrotopological Index

By Souza Erica Silva   Zaramello Laize   Kuhnen Carlos Alberto   Junkes Berenice da Silva   Yunes Rosendo Augusto   Heinzen Vilma Edite Fonseca  

International Journal of Molecular Sciences, Vol. 12, Iss. 10, 2011-10 ,pp. : 7250-7264

MDPI

Access to resources Recommend Favorite

A New Approach on Estimation of Solubility and n-octanol/water Partition Coefficient for Organohalogen Compounds

By Gao Shuo   Cao Chenzhong  

International Journal of Molecular Sciences, Vol. 9, Iss. 6, 2008-06 ,pp. : 962-977

MDPI

Access to resources Recommend Favorite

Quantitative Prediction of Solvation Free Energy in Octanol of Organic Compounds

By Delgado Eduardo J.   Jaña Gonzalo A.  

International Journal of Molecular Sciences, Vol. 10, Iss. 3, 2009-03 ,pp. : 1031-1044

MDPI

Access to resources Recommend Favorite

Calculation of Relative Binding Free Energy in the Water-Filled Active Site of Oligopeptide-Binding Protein A

By Maurer Manuela   de Beer Stephanie B. A.   Oostenbrink Chris  

Molecules, Vol. 21, Iss. 4, 2016-04 ,pp. : 499-499

MDPI

Access to resources Recommend Favorite

Improved Estimation of Protein-Ligand Binding Free Energy by Using the Ligand-Entropy and Mobility of Water Molecules

By Fukunishi Yoshifumi   Nakamura Haruki  

Pharmaceuticals, Vol. 6, Iss. 5, 2013-04 ,pp. : 604-622

MDPI

Access to resources Recommend Favorite