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?
• Putative mechanism of a multivitamin treatment against insulin resistance
• Exploring combinations in chemoinformatics: Toward a multidisciplinary view
• Rethinking the 'Best Method' Paradigm: The Effectiveness of Hybrid and Multidisciplinary Approaches in Chemoinformatics
• Nat-UV DB: A Natural Products Database Underlying of Veracruz-México
• Nat-UV DB: A Natural Products Database Underlying of Veracruz-Mexico [version 1; peer review: awaiting peer review]
• Metal-FP: A hybrid molecular fingerprint to encode metal-based approved drugs
• Nat-UV DB: A Natural Products Database Underlying of Veracruz-Mexico