Number of Articles: 584
Towards Screening and Repurposing of Approved Drugs for the Treatment of COVID-19 Using Molecular Docking

Volume 11, Issue 4, December 2023, Pages 707-723

Marzieh Soltani; Soroush Sardari; Hassan Sabzyan; Fahimeh Ghasemi

Towards Screening and Repurposing of Approved Drugs for the Treatment of COVID-19 Using Molecular Docking

A Spectroscopic and Molecular Docking Study on the Interaction of 2ʹ-Hydroxyflavanone with Bovine Serum Albumin

Volume 12, Issue 3, September 2024, Pages 709-727

Madhumita Patar; Ankita Jalan; N Shaemningwar Moyon

A Spectroscopic and Molecular Docking Study on the Interaction of 2ʹ-Hydroxyflavanone with Bovine Serum Albumin

Computational Study of the Precursor Spectroelectrochemistry of Guanine

Volume 8, Issue 4, December 2020, Pages 719-735

Fatemeh Tabesh; Hassan Sabzyan

Computational Study of the Precursor Spectroelectrochemistry of Guanine

Molecular Analysis of Potential Inhibitors Against SARS-CoV-2: Computational Approach

Volume 11, Issue 4, December 2023, Pages 725-734

Collins Ibeji; Gideon F. Tolufashe; Zainab Sanusi; Tosan P. Omayone

Molecular Analysis of Potential Inhibitors Against SARS-CoV-2: Computational Approach

In Silico Approach for Developing New Anti-Tuberculosis Drug Candidates: 3D-QSAR, Molecular Docking and ADME Studies of Pretomanid Derivatives

Volume 12, Issue 3, September 2024, Pages 729-743

Abderahmane Belafriekh; Aicha Laoud; Larbi Elmchichi; Mohammed Bouachrine

In Silico Approach for Developing New Anti-Tuberculosis Drug Candidates: 3D-QSAR, Molecular Docking and ADME Studies of Pretomanid Derivatives

Volumetric Properties of Nanofluids by a Perturbed Hard-sphere Chain Equation of State

Volume 11, Issue 4, December 2023, Pages 735-745

Zahra Sharafi; Farkhondeh Mozaffari

Volumetric Properties of Nanofluids by a Perturbed Hard-sphere Chain Equation of State

Estimating the Acoustical Parameters and Molecular Interactions of n-Butylammonium perchlorate in Mixed Organic Solvents in the Temperature Range 298-328 K

Volume 8, Issue 4, December 2020, Pages 737-753

Vivek Pathania; Shrutila Sharma; Shashi Kiran Vermani; B. K. Vermani; Navya Grover

Estimating the Acoustical Parameters and Molecular Interactions of n-Butylammonium perchlorate in Mixed Organic Solvents in the Temperature Range 298-328 K

Computation of Isobaric Vapor-Liquid Equilibrium (VLE) Data of Methyl Tert-Butyl Ether (MTBE) + Acetic Acid (AA) System

Volume 12, Issue 3, September 2024, Pages 745-752

Priyank Dinesh Khirsariya; Vyomesh M. Parsana; Kedar Joshi

Computation of Isobaric Vapor-Liquid Equilibrium (VLE) Data of Methyl Tert-Butyl Ether (MTBE) + Acetic Acid (AA) System

Physical Study of PVA Filled with Carbon Nanotube and Nano Carbon with Roughness Morphology

Volume 11, Issue 4, December 2023, Pages 747-760

Alaa M. Abdullah; Liqaa H. Alwan; Ahmed A. Ahmed; Rasheed Nema Abed

Physical Study of PVA Filled with Carbon Nanotube and Nano Carbon with Roughness Morphology

Molecular Docking and Molecular Dynamics Simulations of Bendamustine Functionalized Al/B-N/P Nanocages as Potential Inhibitors of Cellular Tumor Antigen

Volume 12, Issue 3, September 2024, Pages 753-762

Nosrat Madadi Mahani; Roya Yosefelahi; Reza Behjatmanesh-Ardekani

Molecular Docking and Molecular Dynamics Simulations of Bendamustine Functionalized Al/B-N/P Nanocages as Potential Inhibitors of Cellular Tumor Antigen

Ejection Time of a Semi-Flexible Polymer from Strong Confinement inside a Nano-slit

Volume 8, Issue 4, December 2020, Pages 755-765

Fatemeh Hafizi; S. Mohammad Hoseinpoor; Narges Nikoofard

Ejection Time of a Semi-Flexible Polymer from Strong Confinement inside a Nano-slit

Band Gap Engineering of TiO2 Anatase through Cobalt and Nitrogen Co-doping: A Periodic Hybrid-DFT Study

Volume 12, Issue 3, September 2024, Pages 763-770

Reza Behjatmanesh-Ardakani; Ahlam Moradzadeh

Band Gap Engineering of TiO2 Anatase through Cobalt and Nitrogen Co-doping: A Periodic Hybrid-DFT Study

Adsorption of Different Dyes from Aqueous Solutions Using Organo-clay Compposites

Volume 8, Issue 4, December 2020, Pages 767-787

Zakarya Baouch; Benabadji Kamel Ismet; Brahim Bouras

Adsorption of Different Dyes from Aqueous Solutions Using Organo-clay Compposites

Structural, Optical, and Luminescent Studies of Vanadyl Doped Strontium Tin Phosphate by Solid-state Reaction Method

Volume 12, Issue 3, September 2024, Pages 771-781

Y.V.K. Suresh; N. Chinna Anjaneyulu; A Rajendrakumar; A. V. Chandrasekhar; RVSSN Ravikumar

Structural, Optical, and Luminescent Studies of Vanadyl Doped Strontium Tin Phosphate by Solid-state Reaction Method

Study of the Anticancer Potential of Cannabidiol Using Computational Methods

Volume 12, Issue 3, September 2024, Pages 783-800

SOUMIA AISSAOUI; Halima Hajji; Hanane ZAKI; Marwa Alaqarbeh; Samir Chtita; Tahar Lakhlifi; Mohammed Aziz Ajana; Mohammed BOUACHRINE

Study of the Anticancer Potential of Cannabidiol Using Computational Methods

Computational Insights into HVA/β-CD Inclusion Complexes: Thermodynamics, Structural Analysis, and NMR Correlations

Volume 12, Issue 3, September 2024, Pages 801-819

Bouallag Fawzia; A. Bendjeddou; H. Nouioua; T. Abbaz; A.K. Gouasmia; D. Villemin

Computational Insights into HVA/β-CD Inclusion Complexes: Thermodynamics, Structural Analysis, and NMR Correlations

Estimation of the Binding Affinities of Glycogen Phosphorylase Inhibitors by Molecular Docking to Support the Treatment of Type 2 Diabetes

Volume 12, Issue 3, September 2024, Pages 821-835

Thien Y Vu; Thi Thuy Huong Le; Thuy Linh Pham; Nguyen Huy Hoang Vo; Thi Ngoc My Pham; Minh Quan Pham; Huong Thi Thu Phung

Estimation of the Binding Affinities of Glycogen Phosphorylase Inhibitors by Molecular Docking to Support the Treatment of Type 2 Diabetes

Curcumin and Curcumin Derivatives as Green Corrosion Inhabitor-A Review

Volume 11, Issue 4, December 2023, Pages 825-835

Ashwini N; Dileep R; Ranganatha S

Curcumin and Curcumin Derivatives as Green Corrosion Inhabitor-A Review

Interaction of Electronically Excited CO(a^3 Π_r) Molecules with H, H2, and H2O: Potential Energy Surfaces and Reaction Kinetics

Volume 11, Issue 4, December 2023, Pages 837-851

Alexey V. Pelevkin; Boris I. Loukhovitski; Alexander S Sharipov

Interaction of Electronically Excited CO(a^3 Π_r) Molecules with H, H2, and H2O: Potential Energy Surfaces and Reaction Kinetics

Structural and Functional Insights into Fungal Uricases: A Computational Approach

Volume 12, Issue 3, September 2024, Pages 837-850

Srilekha Thatikonda; Machavarapu N.P.Satish Kumar; Sruthi Tallapudi; D. John Babu; T.C. Venkateswarulu; Anand Kumar Nelapati

Structural and Functional Insights into Fungal Uricases: A Computational Approach

Thermodynamic Properties of Sulfasalazine in Binary Aqueous Mixtures of Polyethylene Glycol 600 and 1,2-Propanediol: Computational Modeling and Solubilization

Volume 12, Issue 4, December 2024, Pages 851-857

Sama Hamzehlou; Elaheh Rahimpour; Anahita Fathi Azarbayjani; Abolghasem Jouyban

Thermodynamic Properties of Sulfasalazine in Binary Aqueous Mixtures of Polyethylene Glycol 600 and 1,2-Propanediol: Computational Modeling and Solubilization

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