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Molecular model
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Keyword
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Molecular model
RIS
0.001
(Research Intensity Score)
Papers
69
Top papers
Exploring the anticancer potential of novel benzimidazolium Salts: Synthesis, biological evaluation, DFT perspective, and docking simulation for inhibition of VEGFR2
2025 · 59 citations
Design and synthesis of tunable schiff base complexes from bis-(2-oxoindolin-3-ylidene)anthracene-9,10-dione: Integrated structural, biological, and molecular modeling insights
2025 · 12 citations
Nanoinformatics‐Guided Inhibition of blaOXA in Staphylococcus nepalensis using Cysteine‐Conjugated Silver Nanoparticles
2026 · 9 citations
Synthesis, docking, SAR and ADMET evaluation of novel pyrrolo[3,4-c]pyrazole-4,6-dione derivatives
2026 · 7 citations
Bioactive Cr(III), Co(II), and Mn(II) Complexes with N′((3-Hydroxynaphthalen-2-yl)methylene)picolinohydrazide: Structural, Computational, and Biological Studies
2025 · 8 citations
N‐Doped Nonalternant Molecular Bowl/Saddle Hybrids
2025 · 6 citations
A Schiff base and triazolophthalazine derivatives of hydralazine: Crystal structures, DNA binding properties and DFT studies
2025 · 6 citations
CT-DNA- and BSA-binding, molecular docking interactions, and ADME properties of new PEPPSI-type palladium complexes
2025 · 4 citations
Synthesis, computational screening, antidiabetic, antibacterial, DNA, pharmacokinetics/ ADMET analysis and molecular docking studies of pentamethylcyclopentadienyl ruthenium(III) carboxylate complex
2025 · 5 citations
Newest papers
Nanoinformatics‐Guided Inhibition of blaOXA in Staphylococcus nepalensis using Cysteine‐Conjugated Silver Nanoparticles
2026 · 9 citations
Synthesis, docking, SAR and ADMET evaluation of novel pyrrolo[3,4-c]pyrazole-4,6-dione derivatives
2026 · 7 citations
4‐Ethyl phenyl sulfate binding to human serum albumin
2026
The rise of state-centric biophysics: integrating orthogonal molecular readouts across biophysical scales
2026
Molecular Modelingof Triethyl Phosphate: Extensionand Validation of the TraPPE Force Field
2026
EGFR as a Potential Molecular Target of Cleistanthin A and Diphyllin Derivatives: An Integrated Computational and Biophysical Study
2026
Asymmetric organotellurium hard-soft donor schiff base ligand and its Cu(II)/Ni(II) complexes: DNA intercalation, anti-inflammatory and antimicrobial activity
2026 · 1 citations
Integrating AI and Molecular Modeling for StructuralPrediction of a Closed-Pore State of the hERG Channel
2026
In Silico Identification of Potent SARS-CoV-2 RdRp Inhibitors: DFT and Molecular Docking Analysis of Acylated Glucopyranoside Derivatives
2026
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