Interaction of Anagrelide drug molecule on pristine and doped boron nitride nanocages: a DFT, RDG, PCM and QTAIM investigation-Reference-Cited by-同舟云学术

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Interaction of Anagrelide drug molecule on pristine and doped boron nitride nanocages: a DFT, RDG, PCM and QTAIM investigation

Published:2022-03-11 Issue:8 Volume:41 Page:3413-3429
ISSN:0739-1102
Container-title:Journal of Biomolecular Structure and Dynamics
language:en
Short-container-title:Journal of Biomolecular Structure and Dynamics

Author:

Nishat Maliha¹^ORCID,Hossain Md. Rakib²^ORCID,Hasan Md. Mehade³^ORCID,Hossain Md. Kamal⁴^ORCID,Hossain Md. Abul⁴,Ahmed Farid⁴

Affiliation:

1. Department of Physics, Pabna University of Science and Technology, Pabna, Bangladesh

2. Department of Physics, Bangabandhu Sheikh Mujibur Rahman Science and Technology University, Gopalganj, Bangladesh

3. Department of Physics, Jashore University of Science and Technology, Jashore, Bangladesh

4. Department of Physics, Jahangirnagar University, Dhaka, Bangladesh

Publisher

Informa UK Limited

Subject

Molecular Biology,General Medicine,Structural Biology

Link

https://www.tandfonline.com/doi/pdf/10.1080/07391102.2022.2049369

Reference74 articles.

1. Adsorption of Celecoxib on B12N12 fullerene: Spectroscopic and DFT/TD-DFT study

2. Theoretical study of aluminum nitride nanotubes for chemical sensing of formaldehyde

3. Effects of Al Doping and Double-Antisite Defect on the Adsorption of HCN on a BC2N Nanotube: Density Functional Theory Studies

4. Reduced HOMO−LUMO Gap as an Index of Kinetic Stability for Polycyclic Aromatic Hydrocarbons

5. Recent Advances in the Description of Solvent Effects with the Polarizable Continuum Model

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1. Investigation of the adsorption of miglitol anti-diabetic drug on the surface of X12Y12 (X = B, Al; Y = N, P) nanocages: A DFT and COSMO Insights;Computational and Theoretical Chemistry;2024-09

2. Density Functional Theory Studies on Boron Nitride and Silicon Carbide Nanoclusters Functionalized with Amino Acids for Organophosphorus Pesticide Adsorption;Crystals;2024-06-27

3. Investigating the adsorption potential and sensitivity of pristine along with carbon, boron, and nitrogen substituted hetero-nanocages towards azacitidine drug;Journal of Molecular Liquids;2024-02

4. Synthesis and characterization of new targeted pH-responsive heteroatom-doped hexagonal boron nitride nanosheets for controlled drug release;Materials Science and Engineering: B;2024-01

5. Advanced nano boron nitride architectures: Synthesis, properties and emerging applications;Nano Today;2023-12

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