Interaction of Omeprazole with a Methylated Derivative of β-Cyclodextrin: Phase Solubility, NMR Spectroscopy and Molecular Simulation

[21] Paolino D.(2005)Molecular modeling methodology of β-cyclodextrin inclusion complexes Eur. J. Pharm. Sci. 24 1-13

[22] Pistarà V.(1995)Molecular modelling study of β-cyclodextrin inclusion complexes Comput. Phys. Commun. 91 43-56

[23] Corsaro A.(2001)Computer-aided molecular modeling techniques for predicting the stability of drug–cyclodextrin inclusion complexes in aqueous solutions J. Mol. Mod. 7 306-317

[24] Puglisi G.(1998)Calculation of cyclodextrin binding affinities: energy, entropy, and implications for drug design Acta Crystallogr. Sect. D—Biol. Crystallogr. D54 1119-1131

[25] Challa R.(1999)Multicomponent complex formation between vinpocetine, cyclodextrins, tartaric acid and water soluble polymers monitored by NMR and solubility studies Bull. Korean Chem. Soc. 20 1153-1158

[26] Ahuja A.(2004)GROMACS: A message-passing parallel molecular dynamics implementation. Comput Acta Crystallogr. Sect. D—Biol. Crystallogr. D60 1355-1363

[27] Ali J.(1989)GROMACS 3.0: A package for molecular simulation and trajectory analysis Acta Chem. Scand. 43 569-576

[28] Khar R. K.(2003)Databases in protein crystallography Anal. Chim. Acta 481 155-164

[29] Fernandes C. M.(1993)Determination of relative reactivities of free hydroxyl groups in β-cyclodextrin, amylose, and cellulose by Reductive Cleavage Method J. Comput. Chem. 14 1347-1363

[30] Carvalho R. A.(1995)PRODRG—a tool for high throughput crystallography of protein–ligand complexes J. Chem. Phys. 103 8577-8592

[21] Paolino D.(2005)Molecular modeling methodology of β-cyclodextrin inclusion complexes Eur. J. Pharm. Sci. 24 1-13

[22] Pistarà V.(1995)Molecular modelling study of β-cyclodextrin inclusion complexes Comput. Phys. Commun. 91 43-56

[23] Corsaro A.(2001)Computer-aided molecular modeling techniques for predicting the stability of drug–cyclodextrin inclusion complexes in aqueous solutions J. Mol. Mod. 7 306-317

[24] Puglisi G.(1998)Calculation of cyclodextrin binding affinities: energy, entropy, and implications for drug design Acta Crystallogr. Sect. D—Biol. Crystallogr. D54 1119-1131

[25] Challa R.(1999)Multicomponent complex formation between vinpocetine, cyclodextrins, tartaric acid and water soluble polymers monitored by NMR and solubility studies Bull. Korean Chem. Soc. 20 1153-1158

[26] Ahuja A.(2004)GROMACS: A message-passing parallel molecular dynamics implementation. Comput Acta Crystallogr. Sect. D—Biol. Crystallogr. D60 1355-1363

[27] Ali J.(1989)GROMACS 3.0: A package for molecular simulation and trajectory analysis Acta Chem. Scand. 43 569-576

[28] Khar R. K.(2003)Databases in protein crystallography Anal. Chim. Acta 481 155-164

[29] Fernandes C. M.(1993)Determination of relative reactivities of free hydroxyl groups in β-cyclodextrin, amylose, and cellulose by Reductive Cleavage Method J. Comput. Chem. 14 1347-1363

[30] Carvalho R. A.(1995)PRODRG—a tool for high throughput crystallography of protein–ligand complexes J. Chem. Phys. 103 8577-8592