Current status of quantum chemical studies of cyclodextrin host–guest complexes

AH Mazurek, Ł Szeleszczuk - Molecules, 2022 - mdpi.com
This article aims to review the application of various quantum chemical methods (semi-
empirical, density functional theory (DFT), second order Møller–Plesset perturbation theory …

A Molecular docking study to predict enantioseparation of some chiral carboxylic acid derivatives by methyl-β-cyclodextrin

ES Nurhidayah, AL Ivansyah… - Journal of Physics …, 2018 - iopscience.iop.org
A molecular docking study, using molecular mechanics calculations with Arguslab, was
used to help predict the enantioseparation of some guest molecules of chiral carboxylic acid …

Computational Study of Inclusion Complexes Between Omeprazole Enantiomer with Hydroxypropyl-β-Cyclodextrin

S Setiadji, CDD Sundari, BW Nuryadin… - Journal of Physics …, 2018 - iopscience.iop.org
Computational study of inclusion complexes between R/S-omeprazole as Proton Pump
Inhibitor (PPI) compound with hydroxypropyl-β-cyclodextrin in three of its dimeric structure …

Computational study of inclusion complex between Omeprazole enantiomer and β-Cyclodextrin: NBO and RDG analysis

AL Ivansyah, ES Nurhidayah… - Journal of Physics …, 2019 - iopscience.iop.org
In this study, it has been done NBO and RDG analysis of the R/S-Omeprazole and β-
Cyclodextrin inclusion complexes by using density functional theory computational method …

Molecular docking simulation of interaction between insulin and silica nanoparticle

R Hertadi, AL Ivansyah - Journal of Physics: Conference Series, 2021 - iopscience.iop.org
Molecular docking simulation has been done in this research by using Hex version 8.0
software package, respectively, to explore the interaction between insulin and silica …

Computational investigation of interaction between β-cyclodextrin and hydroxychloroquine

AL Ivansyah - AIP Conference Proceedings, 2021 - pubs.aip.org
There was an outbreak with symptoms similar to SARS caused by the SARS-CoV-2 virus in
the People's Republic of China at the end of 2019. The rapid spread of the virus, even in …

Theoretical investigation of interaction between hydroxypropyl-β-cyclodextrin and hydroxychloroquine

AL Ivansyah - AIP Conference Proceedings, 2021 - pubs.aip.org
At the end of 2019, there was an outbreak with symptoms similar to SARS in the People's
Republic of China caused by the SARS-CoV-2 virus. The massive spread of the virus …

Kajian Teoretis Interaksi Antarmolekul pada Kompleks Inklusi Hidroksipropil-β-Siklodekstrin dan Hidroksiklorokuin

AL Ivansyah - al Kimiya: Jurnal Ilmu Kimia dan Terapan, 2020 - journal.uinsgd.ac.id
Di penghujung tahun 2019, terjadi wabah dengan gejala yang mirip dengan SARS di
Republik Rakyat China yang disebabkan oleh virus SARS-CoV-2. Penyebaran virus yang …