Channels In silico Drug Repurposing of Anticancer Drug 5-FU and Analogues Against SARS-CoV-2 Main Protease: Molecular Docking, Molecular Dynamics Simulation, Pharmacokinetics and Chemical Reactivity Studies
In silico Screening of Potential SARS-CoV-2 Main Protease Inhibitors from Thymus schimperi
In silico Study of Antiviral Activity of Polyphenol Compounds from Ocimum basilicum by Molecular Docking, ADMET, and Drug-Likeness Analysis
Toward Understanding the Anticancer Activity of the Phytocompounds from Eugenia uniflora Using Molecular Docking, in silico Toxicity and Dynamics Studies
Antibacterial and Antioxidant Activities, in silico Molecular Docking, ADMET and DFT Analysis of Compounds from Roots of Cyphostemma cyphopetalum
In silico Molecular Docking Approach to Identify Potential Antihypertensive Compounds from Ajuga integrifolia Buch.-Ham. Ex D. Don (Armagusa)
Elucidation of Molecular Interactions Between Drug–Polymer in Amorphous Solid Dispersion by a Computational Approach Using Molecular Dynamics Simulations
Molecular characterization of covRS mutations in M1UK Streptococcus pyogenes
Evaluation of botanical extracts and molecular docking approaches for sustainable management of rice blast disease in Mushk Budji rice
Pyrazoline B-Paclitaxel or Doxorubicin Combination Drugs Show Synergistic Activity Against Cancer Cells: In silico Study
Molecular mechanisms involved in the anticancer activity of BISPMB in oesophageal cancer cells
Synthesis, Biological Evaluation and Molecular Docking Studies of Novel Series of Bis-1,2,4-Triazoles as Thymidine Phosphorylase Inhibitor
In Silico Molecular Docking of Marine Drugs Against Cancer Proteins
In Silico Molecular Docking Analysis of Natural Pyridoacridines as Anticancer Agents
Computer-aided drug design and the biological evaluation of anti-cancer drugs
Network Pharmacology of Natural Polyphenols for Stroke: A Bioinformatic Approach to Drug Design
Digital twins to accelerate target identification and drug development for immune‐mediated disorders
Unraveling Potential Glyoxalase-I Inhibitors Utilizing Structure-Based Drug Design Techniques
The Drug Addiction Profile in Türkiye: Trends, Risk Factors, and Therapeutic Community Villages as an Integrated Restorative Justice Model
Computational Study of Bis-(1-(Benzoyl)-3-Methyl Thiourea) Platinum (II) Complex Derivatives as Anticancer Candidates
In silico docking and ADMET studies on clinical targets for type 2 diabetes correlated to in vitro inhibition of pancreatic alpha-amylase and alpha-glucosidase by rutin, caffeic acid, p-coumaric acid, and vanillin
The ubiquitin-proteasome system in biology and disease: from molecular mechanisms to proteomic and genetic engineering applications in agriculture
Multi Epitope-Based Vaccine Design for Protection Against Mycobacterium tuberculosis and SARS-CoV-2 Coinfection
Virtual Screening, Toxicity Evaluation and Pharmacokinetics of Erythrina Alkaloids as Acetylcholinesterase Inhibitor Candidates from Natural Products
The synthesis and characterisation of analogues of the antimicrobial peptide iturin A₂
