EL
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?