Latest Research in Computational Drug Discovery Methods

9 research papers · 2026 median publication year

Top Research Topics in Computational Drug Discovery Methods

Highest-Cited Papers

  1. Resonant Coupling Between Ultra-Low Frequency Space Waves and Biological Membrane Dynamics via Stochastic Resonance: A Comprehensive Biophysical Model
  2. Computational drug repurposing against histone acetyltransferase p300 for non-hormonal treatment of endometriosis using virtual screening and molecular dynamics simulations
  3. Zn2+-Induced Dissociation of Transthyretin Tetramers Generates Toxic, Seeding-Active Misfolded Oligomers
  4. Progress with FAK inhibitors in the patent literature (2020-present)
  5. The Scope Concept: Defined Chemical Space for Identifying Ligand-Efficient, Tractable Hits Applied to Drug Discovery Targets Trypanosomal CLK1, 14–3–3/Estrogen Receptor-α, and SARS-CoV-2 Mpro
  6. Computational Design and Experimental Validation of Photoactive PARP1 Inhibitors
  7. A selectivity-aware machine-learning workflow for prioritizing CDK2-biased kinase inhibitor candidates
  8. Efficient Discovery of Potent AKR1B10 Inhibitors Using Co-folding Model Boltz-2
  9. THE CELLULAR GLYCOCALYX AND ITS BIOPHYSICAL AND BIOMOLECULAR BEHAVIOURAL ASPECTS
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L3 Region - - 2026 Sep Q3

Computational Drug Discovery Methods

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