The Electronic Response of Pristine, Si, and Al-doped B12N12 Nanocage to an Ecstasy Drug: A DFT Study

Volume 9, Issue 4, December 2021, Pages 623-636

Elham Sadat Fatemi; Mohammad Solimannejad

The Electronic Response of Pristine, Si, and Al-doped B12N12 Nanocage to an Ecstasy Drug: A DFT Study


Monoclonal Antibodies as Potential Treatment Drugs for Nsp15 and 3CLpro Proteins

Volume 11, Issue 3, September 2023, Pages 623-629

Shifaa O. Alshammari; Ghassab M. Al-Mazaideh; Fadi Alakhras; Mohammed Ayed Huneif; Syed Imran Ali Shah; Ashfaq Ahmad; Haya Ayyal Salman; Mohammed Helmy Faris Shalayel

Monoclonal Antibodies as Potential Treatment Drugs for Nsp15 and 3CLpro Proteins


A Reactive Molecular Dynamics Simulation of the Flame Synthesis of Silica Nanoparticles

Volume 8, Issue 4, December 2020, Pages 629-644

Mohammad Izadi; Hassan Sabzyan

A Reactive Molecular Dynamics Simulation of the Flame Synthesis of Silica Nanoparticles


Combined Effects of Inclination Angle and Imposed Flow on Mixed Convective Cooling Inside a Vented Cavity Crossed by Nanofluids

Volume 11, Issue 3, September 2023, Pages 631-642

Ismail Arroub; Ahmed Bahlaoui; Soufiane Belhouideg; Abdelghani Raji; Mohammed Hasnaoui

Combined Effects of Inclination Angle and Imposed Flow on Mixed Convective Cooling Inside a Vented Cavity Crossed by Nanofluids


QSAR Modeling and Molecular Docking Studies of 3,5-Disubstituted Indole Derivatives as Pim1 Inhibitors for Combating Hematological Cancer

Volume 12, Issue 3, September 2024, Pages 631-645

Yassine EL Allouche; Hicham Zaitan; Mohammed Bouachrine; Fouad Khalil

QSAR Modeling and Molecular Docking Studies of 3,5-Disubstituted Indole Derivatives as Pim1 Inhibitors for Combating Hematological Cancer


Modified Mesoporous HMS Supported V/W for Oxidative Desulfurization of Dibenzothiophene

Volume 9, Issue 4, December 2021, Pages 637-649

Neda Jamali; Nima Ramezani; Mohammad Hassan Mousazadeh

Modified Mesoporous HMS Supported V/W for Oxidative Desulfurization of Dibenzothiophene


Catalytic Behavior of Co/Al2O3 Nanocatalyst under External Magnetic Field

Volume 8, Issue 4, December 2020, Pages 645-656

Paria Nikparsa; Amirhosein Nikparsa; Ali Mirzaei

Catalytic Behavior of Co/Al2O3 Nanocatalyst under External Magnetic Field


Phytochemical Profiling, GC-MS Analysis, In-vitro, and In-silico Aldose Reductase Activity of Coccinia Indica (L.) Fruit Extract: A Step Towards the Management of Hyperglycemia

Volume 12, Issue 3, September 2024, Pages 647-661

Gopinath G; Sivakumar V; Ram Kumar A; Thirumurthy M; Mohamed Sadiq A; Sankar Selvaraj

Phytochemical Profiling, GC-MS Analysis, In-vitro, and In-silico Aldose Reductase Activity of Coccinia Indica (L.) Fruit Extract: A Step Towards the Management of Hyperglycemia


In Silico Analysis Predicting the Structural and Functional Effects of High-risk nsSNPs in the Human GCK Gene Associated with Gestational Diabetes

Volume 11, Issue 3, September 2023, Pages 653-673

Jihane Khamlich; Imane Douiyeh; Asmae Saih; Asmae Baggar; Anass Kettani; Amal Safi

In Silico Analysis Predicting the Structural and Functional Effects of High-risk nsSNPs in the Human GCK Gene Associated with Gestational Diabetes


Quantum Mechanical Study of some Intercalating and Groove Binding Anticancer Drugs with AT and GC Base Pair of DNA Nucleobase

Volume 9, Issue 4, December 2021, Pages 673-688

Benzir Ahmed; Bipul Bezbaruah; Ibrahim Ali; Pratyashee Barukial; Mrinal Jyoti Bezbaruah

Quantum Mechanical Study of some Intercalating and Groove Binding Anticancer Drugs with AT and GC Base Pair of DNA Nucleobase


Solubility of Lamotrigine in Polyethylene Glycol 400 + 2-Propanol Mixtures at Different Temperatures

Volume 11, Issue 3, September 2023, Pages 675-682

Atefeh Sheikhi-Sovari; Behrouz Seyfinejad; Hongkun Zhao; Elaheh Rahimpour; Abolghasem Jouyban

Solubility of Lamotrigine in Polyethylene Glycol 400 + 2-Propanol Mixtures at Different Temperatures


A Computational Investigation on Immunogenicity of Uricase from Aspergillus Flavus and Candida Utilis

Volume 11, Issue 3, September 2023, Pages 683-693

NELAPATI ANAND KUMAR; Meena S Kamala

A Computational Investigation on Immunogenicity of Uricase from Aspergillus Flavus and Candida Utilis


A Comparative Study on Water and Ethanol Separation Mixture by Different Solvents: New Experimental and Correlation Data

Volume 9, Issue 4, December 2021, Pages 689-700

Oussama Bacha; Ouidad Baka; Abedelmalek Hasseine; Mourad Korichi; Djamel Selloum; Abdellah Henni

A Comparative Study on Water and Ethanol Separation Mixture by Different Solvents: New Experimental and Correlation Data


In Silico Study of the Effect of Porphyrin-Based Ligands on the Structure of G-Quadruplex in the Presence of Different Ions

Volume 11, Issue 4, December 2023, Pages 695-705

Fahimeh Otovat; Mohammad Reza Bozorgmehr; Ali Mahmoudi; Ali Morsali

In Silico Study of the Effect of Porphyrin-Based Ligands on the Structure of G-Quadruplex in the Presence of Different Ions


DFT Studies on Molecular Structure, Absorption properties, NBO Analysis, and Hirshfeld Surface Analysis of Iron(III) Porphyrin Complex

Volume 9, Issue 4, December 2021, Pages 701-713

Salma Dhifaoui; Ahmed Azaid; Mohammed Bourass; Laila Ben Haj Hassen; Habib Nasri; Mohammed Bouachrine

DFT Studies on Molecular Structure, Absorption properties, NBO Analysis, and Hirshfeld Surface Analysis of Iron(III) Porphyrin Complex


Spectroscopic and DFT Investigations on Some New Aryl (trichloroacetyl)carbamate Derivatives

Volume 8, Issue 4, December 2020, Pages 705-718

Nahid Shajari; Hooriyeh Yahyaei

Spectroscopic and DFT Investigations on Some New Aryl (trichloroacetyl)carbamate Derivatives