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Edgar López-López

Publications

  • Interaction between Aedes aegypti CPB1 and viral proteins.
  • Chemical space, diversity and activity landscape analysis of estrogen receptor binders
  • DataWarrior: an evaluation of the open-source drug discovery tool
  • Conformal prediction of HDAC inhibitors
  • Reaching for the bright StARs in chemical space
  • Towards the understanding of the activity of G9a inhibitors: an activity landscape and molecular modeling approach
  • In silico tools to study molecular targets of neglected diseases: inhibition of TcSir2rp3, an epigenetic enzyme of Trypanosoma cruzi
  • Consensus virtual screening of dark chemical matter and food chemicals uncover potential inhibitors of SARS-CoV-2 main protease
  • Computational Drug Design Methods—Current and Future Perspectives
  • Activity Landscape and Molecular Modeling to Explore the SAR of Dual Epigenetic Inhibitors: A Focus on G9a and DNMT1
  • Informatics for Chemistry, Biology, and Biomedical Sciences
  • Tubulin Inhibitors: A Chemoinformatic Analysis Using Cell-Based Data
  • Monosubstituted Coumarins Inhibit Epinephrine-induced Platelet Aggregation
  • Progress on open chemoinformatic tools for expanding and exploring the chemical space
  • Consensus Virtual Screening of Dark Chemical Matter and Food Chemicals Uncover Potential Inhibitors of SARS-CoV-2 Main Protease
  • 7-Aminoalkoxy-Quinazolines from Epigenetic Focused Libraries Are Potent and Selective Inhibitors of DNA Methyltransferase 1
  • Polypharmacological drug design opportunities against Parkinson's disease [version 1; peer review: awaiting peer review]
  • Towards Decoding Hepatotoxicity of Approved Drugs through Navigation of Multiverse and Consensus Chemical Spaces
  • Exploring activity landscapes with extended similarity: is Tanimoto enough?
  • Sampling and Mapping Chemical Space with Extended Similarity Indices
  • Mapping the structure–activity landscape of non-canonical peptides with MAP4 fingerprinting
  • The pursuit of accurate predictive models of the bioactivity of small molecules
  • Using 5-Nitroimidazole Derivatives against Neglected Tropical Protozoan Diseases: Systematic Review
  • What is the plausibility that all drugs will be designed by computers by the end of the decade?

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Co-workers & collaborators

JOSÉ LUIS MEDINA-FRANCO

Mexico City, Mexico

JOSÉ LUIS MEDINA-FRANCO

Ana Luisa Chávez-Hernández

Ana Luisa Chávez-Hernández

Carolina Barrientos-Salcedo

Carolina Barrientos-Salcedo

Edgar López-López's public data