Latest Research in Computational Drug Discovery Methods
13 research papers · 2026 median publication year
Top Research Topics in Computational Drug Discovery Methods
- Computational Drug Discovery Methods — 2 papers
- Hops Chemistry and Applications — 1 papers
- Metabolomics and Mass Spectrometry Studies — 1 papers
- Genomics, phytochemicals, and oxidative stress — 1 papers
- Ion-surface interactions and analysis — 1 papers
- interferon and immune responses — 1 papers
- Biomolecules — 1 papers
- Pharmacological Effects of Medicinal Plants — 1 papers
- Microbial Metabolic Engineering and Bioproduction — 1 papers
- Cancer therapeutics and mechanisms — 1 papers
Highest-Cited Papers
- Exploring Anti-Breast Cancer Potential and Mechanism of Novel Xanthohumol-Metformin Conjugate by Integrating Network Pharmacology, Molecular Docking and Simulation Approaches
- Implementation of Nano Flow Chromatography Coupled to Mass Spectrometry as a Reliable and Sensitive Discovery Lipidomics Platform
- Pterin-6-carboxylic Acid Induces Oxidative Stress-Mediated Cytotoxicity, Genotoxicity, and Chromosomal Instability in Mammalian Cells
- AI Accelerated Chemical Screening Integrates ChemBERTa to Identify Repositionable CASP4 Inhibitors via MD Simulations and MM/PBSA Analysis
- Time-of-flight secondary ion mass spectrometry reference spectra of cholesterol in positive and negative polarity
- In vivo acute oral tolerability and antitumor activity of the novel small molecule YB-1 modulator AIGM-2024–4 in a DMBA- induced rat mammary tumor model
- Multi-ligand simultaneous docking of Carica papaya leaf phytochemicals, Carpaine and Rutin, reveals multi-mechanism inhibition of cancer proteins BCL-2 and WWP1
- Cytotoxic, Drug-Interaction, and Apoptosis-Associated Effects of β-Boswellic Acid and Doxorubicin in Murine 4T1 TNBC-like Cells
- BioEMMA: Automated Generation of Model-Specific Escher-Compatible Maps from KEGG Pathways
- Evaluation of Camptothecin Through Computational and Experimental Approaches Targeting Membrane Receptors on Breast Cancer Cells for Potential Therapeutic Applications
- Computational Screening of Anticancer Phytochemicals From IMPPAT2.0 Database: Molecular Docking and Molecular Dynamics Evaluation Against EGFR and FGFR3
- Predicting Quantifiability from Primary Screens to Prioritize Dose-Response Profiling
- Novel Phenanthraquinone Derivative from Antarctic Lichen Umbilicaria antarctica Exhibits Apoptotic Activity in Triple-Negative Breast Cancer