Free energy perturbation and MM/PBSA studies on inclusion complexes of some structurally related compounds with β-cyclodextrin
El-Barghouthi, M.I., Jaime, C., Akielah, R.E., Al-Sakhen, N.A., Masoud, N.A., Issa, A.A., Badwan, A.A., Zughul, M.B.
Published in Supramolecular chemistry (01.10.2009)
Published in Supramolecular chemistry (01.10.2009)
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Molecular dynamics simulations and MM–PBSA calculations of the cyclodextrin inclusion complexes with 1-alkanols, para-substituted phenols and substituted imidazoles
El-Barghouthi, M.I., Jaime, C., Al-Sakhen, N.A., Issa, A.A., Abdoh, A.A., Al Omari, M.M., Badwan, A.A., Zughul, M.B.
Published in Journal of molecular structure. Theochem (31.03.2008)
Published in Journal of molecular structure. Theochem (31.03.2008)
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