List of works - Haydar Raissi

A combined molecular dynamics simulation and quantum mechanics study on mercaptopurine interaction with the cucurbit [6,7] urils: Analysis of electronic structure

scientific article published on 31 July 2017

A density functional theory-based analysis of the structural, topological and electronic properties of gemcitabine drug adsorption on the pyrrolidine functionalized single-walled carbon nanotube

scientific article published on 18 November 2018

Assessment of dynamical properties of mercaptopurine on the peptide-based metal-organic framework in response to experience of external electrical fields: a molecular dynamics simulation

scientific article published on 06 September 2019

Assessment of the chitosan-functionalized graphene oxide as a carrier for loading thioguanine, an antitumor drug and effect of urea on adsorption process: Combination of DFT computational and molecular dynamics simulation studies

scientific article published on 01 November 2018

Carbon and boron nanotubes as a template material for adsorption of 6-Thioguanine chemotherapeutic: a molecular dynamics and density functional approach

scientific article published on 22 March 2019

Comparative prediction of binding affinity of Hydroxyurea anti-cancer to boron nitride and carbon nanotubes as smart targeted drug delivery vehicles

scientific article published on 05 February 2019

Density functional theory study of the Fourier transform infrared and Raman spectra of Cu(II) bis-acetylacetone.

scientific article published in November 2005

Enhance the efficiency of 5-fluorouracil targeted delivery by using a prodrug approach as a novel strategy for prolonged circulation time and improved permeation

scientific article published on 02 July 2019

Flotation separation and electrothermal atomic absorption spectrometric determination of thallium in wastewater samples.

scientific article

Immunosuppressive agent leflunomide: a SWNTs-immobilized dihydroortate dehydrogenase inhibitory effect and computational study of its adsorption properties on zigzag single walled (6,0) carbon and boron nitride nanotubes as controlled drug delivery

scientific article published on 22 February 2014

Investigation of graphene-based nanomaterial as nanocarrier for adsorption of paclitaxel anticancer drug: a molecular dynamics simulation study

scientific article published on 24 January 2017

Modeling the interaction between anti-cancer drug penicillamine and pristine and functionalized carbon nanotubes for medical applications: density functional theory investigation and a molecular dynamics simulation

scientific article published on 19 April 2019

Predicting doxorubicin drug delivery by single-walled carbon nanotube through cell membrane in the absence and presence of nicotine molecules: a molecular dynamics simulation study

scientific article published on 23 May 2019

Screening of the structural, topological, and electronic properties of the functionalized Graphene nanosheets as potential Tegafur anticancer drug carriers using DFT method.

scientific article published on 31 July 2017

Sorption of Cr(VI) by Amberlite XAD-7 resin impregnated with brilliant green and its determination by quercetin as a selective spectrophotometric reagent.

scientific article

Stabilization of d-lactate dehydrogenase diagnostic enzyme via immobilization on pristine and carboxyl-functionalized carbon nanotubes, a combined experimental and molecular dynamics simulation study

scientific article published on 23 November 2018

The computational study of the γ-Fe2O3 nanoparticle as Carmustine drug delivery system: DFT approach.

scientific article

The functionalization of carbon nanotubes to enhance the efficacy of the anticancer drug paclitaxel: a molecular dynamics simulation study.

scientific article

The influence of nicotine on pioglitazone encapsulation into carbon nanotube: the investigation of molecular dynamic and density functional theory

scientific article published on 07 April 2016

Theoretical elucidation of the amino acid interaction with graphene and functionalized graphene nanosheets: insights from DFT calculation and MD simulation

scientific article published on 24 October 2020

Theoretical investigation insights into the temperature triggered tegafur anticancer drug release from the surface of graphene oxide nanosheet

scientific article published on 19 June 2019

Using molecular dynamics simulation to explore the binding of the three potent anticancer drugs sorafenib, streptozotocin, and sunitinib to functionalized carbon nanotubes

scientific article published on 14 May 2019

Vibrational assignment of aluminum(III) tris-acetylacetone

scientific article published on 01 October 2002

Vibrational assignment, structure and intramolecular hydrogen bond of 4-methylamino-3-penten-2-one.

scientific article published on 29 June 2005

Vibrational assignment, structure and intramolecular hydrogen bond study of 3-amino-1-phenyl-2-buten-1-one.

scientific article published on 18 July 2005

List of works by Haydar Raissi

A combined molecular dynamics simulation and quantum mechanics study on mercaptopurine interaction with the cucurbit [6,7] urils: Analysis of electronic structure

A density functional theory-based analysis of the structural, topological and electronic properties of gemcitabine drug adsorption on the pyrrolidine functionalized single-walled carbon nanotube

Assessment of dynamical properties of mercaptopurine on the peptide-based metal-organic framework in response to experience of external electrical fields: a molecular dynamics simulation

Assessment of the chitosan-functionalized graphene oxide as a carrier for loading thioguanine, an antitumor drug and effect of urea on adsorption process: Combination of DFT computational and molecular dynamics simulation studies

Carbon and boron nanotubes as a template material for adsorption of 6-Thioguanine chemotherapeutic: a molecular dynamics and density functional approach

Comparative prediction of binding affinity of Hydroxyurea anti-cancer to boron nitride and carbon nanotubes as smart targeted drug delivery vehicles

Density functional theory study of the Fourier transform infrared and Raman spectra of Cu(II) bis-acetylacetone.

Enhance the efficiency of 5-fluorouracil targeted delivery by using a prodrug approach as a novel strategy for prolonged circulation time and improved permeation

Flotation separation and electrothermal atomic absorption spectrometric determination of thallium in wastewater samples.

Immunosuppressive agent leflunomide: a SWNTs-immobilized dihydroortate dehydrogenase inhibitory effect and computational study of its adsorption properties on zigzag single walled (6,0) carbon and boron nitride nanotubes as controlled drug delivery

Investigation of graphene-based nanomaterial as nanocarrier for adsorption of paclitaxel anticancer drug: a molecular dynamics simulation study

Modeling the interaction between anti-cancer drug penicillamine and pristine and functionalized carbon nanotubes for medical applications: density functional theory investigation and a molecular dynamics simulation

Predicting doxorubicin drug delivery by single-walled carbon nanotube through cell membrane in the absence and presence of nicotine molecules: a molecular dynamics simulation study

Screening of the structural, topological, and electronic properties of the functionalized Graphene nanosheets as potential Tegafur anticancer drug carriers using DFT method.

Sorption of Cr(VI) by Amberlite XAD-7 resin impregnated with brilliant green and its determination by quercetin as a selective spectrophotometric reagent.

Stabilization of d-lactate dehydrogenase diagnostic enzyme via immobilization on pristine and carboxyl-functionalized carbon nanotubes, a combined experimental and molecular dynamics simulation study

The computational study of the γ-Fe2O3 nanoparticle as Carmustine drug delivery system: DFT approach.

The functionalization of carbon nanotubes to enhance the efficacy of the anticancer drug paclitaxel: a molecular dynamics simulation study.

The influence of nicotine on pioglitazone encapsulation into carbon nanotube: the investigation of molecular dynamic and density functional theory

Theoretical elucidation of the amino acid interaction with graphene and functionalized graphene nanosheets: insights from DFT calculation and MD simulation

Theoretical investigation insights into the temperature triggered tegafur anticancer drug release from the surface of graphene oxide nanosheet

Using molecular dynamics simulation to explore the binding of the three potent anticancer drugs sorafenib, streptozotocin, and sunitinib to functionalized carbon nanotubes

Vibrational assignment of aluminum(III) tris-acetylacetone

Vibrational assignment, structure and intramolecular hydrogen bond of 4-methylamino-3-penten-2-one.

Vibrational assignment, structure and intramolecular hydrogen bond study of 3-amino-1-phenyl-2-buten-1-one.