Web of Science (Emerging Sources Citation Index)
Computational Chemistry
1. Nanocarbon-assisted biosensor for diagnosis of exhaled biomarkers of lung cancer: DFT approach

Mahmoud Mirzaei; Oguz Gulseren; Mohammad Rafienia; Amirhossein Zare

Articles in Press, Accepted Manuscript, Available Online from 23 February 2021

http://dx.doi.org/10.22034/ecc.2021.269256.1126

Abstract
  Density functional theory (DFT) calculations were performed to investigate a nanocarbon-assisted biosensor for diagnosis of exhaled biomarkers of lung cancer. To this aim, an oxidized model of C20 fullerene (OC) was chosen as the surface for adsorbing each of five remarkable volatile organic compounds ...  Read More

Nanocarbon-assisted biosensor for diagnosis of exhaled biomarkers of lung cancer: DFT approach


Computational Chemistry
2. In silico investigation of nanocarbon biosensors for diagnosis of COVID-19

Kun Harismah; Mahmoud Mirzaei; Muhammad Da'i; Zahra Roshandel; Elham Salarrezaei

Volume 3, Issue 2 , February 2021, , Pages 95-102

http://dx.doi.org/10.22034/ecc.2021.267226.1120

Abstract
  In this work, advantages of applications of nanocarbon materials were investigated for diagnosis purpose of coronavirus disease 2019 (COVID-19). To do so, interactions of four representative models of nanocarbon materials including carbon nanotube (CNT), carbon nanocone (CNC), carbon graphene (CGR), ...  Read More

In silico investigation of nanocarbon biosensors for diagnosis of COVID-19


3. Cytidine derivatives as inhibitors of methyltransferase enzyme

Parnia Abyar Ghamsari; Marjaneh Samadizadeh; Mahmoud Mirzaei

Volume 2, Issue 4 , April 2020, , Pages 433-439

http://dx.doi.org/10.33945/SAMI/ECC.2020.4.433440

Abstract
  In this work, cytidine and fifteen of its derivatives have been examined to detect their Methyltransferase (MTF) enzyme inhibitory activity. 3D models of the ligands and MTF were extracted from PubChem and Protein Data Bank (PDB), respectively. All ligand structures were first optimized to obtain their ...  Read More

Cytidine derivatives as inhibitors of methyltransferase enzyme


4. Cytidine derivatives as inhibitors of methyltransferase enzyme

Parnia Abyar Ghamsari; Marjaneh Samadizadeh; Mahmoud Mirzaei

Volume 1, Issue 3 , May and June 2019, , Pages 310-317

http://dx.doi.org/10.33945/SAMI/ECC.2019.3.8

Abstract
  In this work, cytidine and fifteen of its derivatives have been examined to detect their Methyltransferase (MTF) enzyme inhibitory activity. 3D models of the ligands and MTF were extracted from PubChem and Protein Data Bank (PDB), respectively. All ligand structures were first optimized to obtain their ...  Read More

Cytidine derivatives as inhibitors of methyltransferase enzyme