Computational drug design methods—current and future perspectives FD Prieto-Martínez, E López-López, KE Juárez-Mercado, ... In silico drug design, 19-44, 2019 | 151* | 2019 |
DataWarrior: An evaluation of the open-source drug discovery tool E López-López, JJ Naveja, JL Medina-Franco Expert Opinion on Drug Discovery 14 (4), 335-341, 2019 | 92 | 2019 |
Informatics for chemistry, biology, and biomedical sciences E López-López, J Bajorath, JL Medina-Franco Journal of chemical information and modeling 61 (1), 26-35, 2020 | 76 | 2020 |
Chemical multiverse: an expanded view of chemical space JL Medina‐Franco, AL Chávez‐Hernández, E López‐López, ... Molecular Informatics 41 (11), 2200116, 2022 | 45 | 2022 |
Progress on open chemoinformatic tools for expanding and exploring the chemical space JL Medina-Franco, N Sánchez-Cruz, E López-López, BI Díaz-Eufracio Journal of Computer-Aided Molecular Design 36 (5), 341-354, 2022 | 41 | 2022 |
Yes SIR! On the structure–inactivity relationships in drug discovery E López-López, E Fernández-de Gortari, JL Medina-Franco Drug Discovery Today 27 (8), 2353-2362, 2022 | 37 | 2022 |
Reaching for the bright StARs in chemical space JL Medina-Franco, JJ Naveja, E López-López Drug Discovery Today 24 (11), 2162-2169, 2019 | 33 | 2019 |
Consensus virtual screening of dark chemical matter and food chemicals uncover potential inhibitors of SARS-CoV-2 main protease MG Santibáñez-Morán, E López-López, FD Prieto-Martínez, ... RSC advances 10 (42), 25089-25099, 2020 | 32 | 2020 |
Activity landscape and molecular modeling to explore the SAR of dual epigenetic inhibitors: A focus on G9a and DNMT1 E López-López, FD Prieto-Martínez, JL Medina-Franco Molecules 23 (12), 3282, 2018 | 27 | 2018 |
Bridging informatics and medicinal inorganic chemistry: toward a database of metallodrugs and metallodrug candidates JL Medina-Franco, E López-López, E Andrade, L Ruiz-Azuara, A Frei, ... Drug Discovery Today 27 (5), 1420-1430, 2022 | 24 | 2022 |
Towards the understanding of the activity of G9a inhibitors: an activity landscape and molecular modeling approach E López-López, O Rabal, J Oyarzabal, JL Medina-Franco Journal of Computer-Aided Molecular Design 34 (6), 659-669, 2020 | 23 | 2020 |
Chemoinformatics and artificial intelligence colloquium: progress and challenges in developing bioactive compounds J Bajorath, AL Chávez-Hernández, M Duran-Frigola, ... Journal of Cheminformatics 14 (1), 82, 2022 | 22 | 2022 |
Tubulin inhibitors: a chemoinformatic analysis using cell-based data E López-López, CM Cerda-García-Rojas, JL Medina-Franco Molecules 26 (9), 2483, 2021 | 19 | 2021 |
In silico tools to study molecular targets of neglected diseases: inhibition of TcSir2rp3, an epigenetic enzyme of Trypanosoma cruzi E López-López, C Barrientos-Salcedo, FD Prieto-Martínez, ... Advances in protein chemistry and structural biology 122, 203-229, 2020 | 18 | 2020 |
Conformal prediction of HDAC inhibitors U Norinder, JJ Naveja, E Lopez-Lopez, D Mucs, JL Medina-Franco SAR and QSAR in Environmental Research 30 (4), 265-277, 2019 | 17 | 2019 |
Chemical space, diversity and activity landscape analysis of estrogen receptor binders JJ Naveja, U Norinder, D Mucs, E López-López, JL Medina-Franco RSC advances 8 (67), 38229-38237, 2018 | 13 | 2018 |
Exploring activity landscapes with extended similarity: is Tanimoto enough? TB Dunn, E López‐López, TD Kim, JL Medina‐Franco, ... Molecular Informatics 42 (7), 2300056, 2023 | 10 | 2023 |
7-Aminoalkoxy-quinazolines from epigenetic focused libraries are potent and selective inhibitors of DNA methyltransferase 1 JL Medina-Franco, E López-López, LP Martínez-Fernández Molecules 27 (9), 2892, 2022 | 8 | 2022 |
The essence and transcendence of scientific publishing JL Medina-Franco, E López-López Frontiers in Research Metrics and Analytics 7, 822453, 2022 | 8 | 2022 |
Sampling and mapping chemical space with extended similarity indices K López-Pérez, E López-López, JL Medina-Franco, RA Miranda-Quintana Molecules 28 (17), 6333, 2023 | 7 | 2023 |