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  • Scoring function for DNA–drug docking of anticancer and antiparasitic compounds based on spectral moments of 2D lattice graphs for molecular dynamics trajectories
Subject
  • Molecular modelling
  • Crystals
  • Molecular dynamics
  • Crystallography
  • Biocides
  • Chemical properties
  • Antiparasitic agents
  • Materials science
  • Scientific modeling
  • Computational chemistry
  • Probability assessment
  • Conceptual systems
  • Condensed matter physics
  • Decision theory
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