All Stories

  1. 7-Aminoalkoxy-Quinazolines from Epigenetic Focused Libraries Are Potent and Selective Inhibitors of DNA Methyltransferase 1
  2. Monosubstituted Coumarins Inhibit Epinephrine-induced Platelet Aggregation
  3. Progress on open chemoinformatic tools for expanding and exploring the chemical space
  4. Tubulin Inhibitors: A Chemoinformatic Analysis Using Cell-Based Data
  5. Informatics for Chemistry, Biology, and Biomedical Sciences
  6. Consensus Virtual Screening of Dark Chemical Matter and Food Chemicals Uncover Potential Inhibitors of SARS-CoV-2 Main Protease
  7. Towards the understanding of the activity of G9a inhibitors: an activity landscape and molecular modeling approach
  8. Consensus virtual screening of dark chemical matter and food chemicals uncover potential inhibitors of SARS-CoV-2 main protease
  9. In silico tools to study molecular targets of neglected diseases: inhibition of TcSir2rp3, an epigenetic enzyme of Trypanosoma cruzi
  10. Reaching for the bright StARs in chemical space
  11. Conformal prediction of HDAC inhibitors
  12. DataWarrior: an evaluation of the open-source drug discovery tool
  13. Computational Drug Design Methods—Current and Future Perspectives
  14. Activity Landscape and Molecular Modeling to Explore the SAR of Dual Epigenetic Inhibitors: A Focus on G9a and DNMT1