Channels Elucidation of Molecular Interactions Between Drug–Polymer in Amorphous Solid Dispersion by a Computational Approach Using Molecular Dynamics Simulations
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 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
Evaluation of botanical extracts and molecular docking approaches for sustainable management of rice blast disease in Mushk Budji rice
In silico Molecular Docking Approach to Identify Potential Antihypertensive Compounds from Ajuga integrifolia Buch.-Ham. Ex D. Don (Armagusa)
Molecular characterization of covRS mutations in M1UK Streptococcus pyogenes
The ubiquitin-proteasome system in biology and disease: from molecular mechanisms to proteomic and genetic engineering applications in agriculture
Antibacterial and Antioxidant Activities, in silico Molecular Docking, ADMET and DFT Analysis of Compounds from Roots of Cyphostemma cyphopetalum
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
Synthesis, Biological Evaluation and Molecular Docking Studies of Novel Series of Bis-1,2,4-Triazoles as Thymidine Phosphorylase Inhibitor
The biochemical and molecular characterisation of respiratory mucins in TB
Employing Hexahydroquinolines as PfCDPK4 Inhibitors to Combat Malaria Transmission: An Advanced Computational Approach
The molecular basis of alpha thalassaemia in a South African population
The interaction of some halogenated anaesthetic agents with hepatic drug metabolizing enzymes
A molecular basis for the C-domain selectivity of angiotensin-converting enzyme
Molecular mechanisms involved in the anticancer activity of BISPMB in oesophageal cancer cells
An investigation into the molecular mechanisms induced by derivatives of natural products in oesophageal cancer
Digital twins to accelerate target identification and drug development for immune‐mediated disorders
Comparative study of the molecular mechanism of action of the synthetic progestins, Medroxyprogesterone acetate and Norethisterone acetate
Unraveling Potential Glyoxalase-I Inhibitors Utilizing Structure-Based Drug Design Techniques
Unravelling the molecular mechanisms of HIV associated neurocognitive disorders through mass spectrometry-based proteomics
Pyrazoline B-Paclitaxel or Doxorubicin Combination Drugs Show Synergistic Activity Against Cancer Cells: In silico Study
The Drug Addiction Profile in Türkiye: Trends, Risk Factors, and Therapeutic Community Villages as an Integrated Restorative Justice Model
