Vol. 2 No. 1 (2021)

Published: 2021-06-30

Editorial

An Introduction to Lab-in-Silico

Hamid Soleimanimehr, Mahmoud Mirzaei

1-2
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Original Research Article

Loading Tacrine Alzheimer's Drug at the Carbon Nanotube: DFT Approach

Mohsen Mirali, Zahra Jafariazar, Mahmoud Mirzaei

3-8
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Cyclophosphamide@CNT: In Silico Exploration of Nano Drug Delivery System

Ardeshir Kakaei, Mahmoud Mirzaei

9-14
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PNA-CNT Interacting System: In Silico Investigation of Nanocarbon Sensors for PNA Detection

Bahmsnshir Mousanasab, Mahmoud Mirzaei

15-19
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Heat Treatment Calculations of CaTiO3 Material to Probe the Oxygen Non-Stoichiometry

Osman Murat Ozkendir

20-24
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Graphene Scaffold for Tioguanine Delivery: DFT Approach

Esmaeil Moezi, Mahmoud Mirzaei

25-29
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Molecular Docking of Some Novel Quinoline Derivatives as Potent Inhibitors of Human Breast Cancer Cell Line

Momohjimoh Ovaku Idris, Shola Elijah Adeniji, Kekere Habib, Abubakar Abdulhafiz Adeiza

30-37
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DFT Approach on SiC Nanotube for NO2 Gas Pollutant Removal

Alireza Iranimanesh, Mohammad Yousefi, Mahmoud Mirzaei

38-43
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Algorithmic Approach to Design Single Strand DNA-Based OR Logic Gate

Pradipta Roy

44-49
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Review Article

Computer-Based Tools for Structural Characterizations and Activity Specifications of Natural Products: A Quick Review

Hasan Zandi, Kun Harismah

50-54
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