Latest Research in Computational Drug Discovery Methods

8 research papers · 0.1 average citations · 2026 median publication year

Top Research Topics in Computational Drug Discovery Methods

Highest-Cited Papers

  1. Organelle partitioning in the multi-budding yeast Aureobasidium pullulans (1 citations)
  2. Mechanochemical Transduction at the Protocellular Interface: A Refinement of the Energetic Coupling Between Mechanical Agitation and Vesicle Cannibalism
  3. KINOTECA: A Navigator of Chemical Datasets with Reported Kinase Inhibitory Activity
  4. Discovery of novel acridine based inhibitors of Bruton’s tyrosine kinase (BTK) via pharmacophore modeling and machine learning-driven virtual screening followed by molecular dynamic studies
  5. Held-out evidence resolves follow-up measurement decisions in biological screens
  6. Tomdok: a fully reproducible multi-engine consensus virtual screening pipeline with data-driven safety annotation, validated by blind recovery of clinically validated inhibitors
  7. Tomdok: a fully reproducible multi-engine consensus virtual screening pipeline with data-driven safety annotation, validated by blind recovery of clinically validated inhibitors
  8. A knowledge-driven framework for predicting single-cell responses for unprofiled drugs
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L3 Region - - 2026 Sep Q3
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