Bioactivity descriptors for uncharacterized chemical compounds
Bertoni, Martino, Duran-Frigola, Miquel, Badia-I-Mompel, Pau, Pauls, Eduardo, Orozco-Ruiz, Modesto, Guitart-Pla, Oriol, Alcalde, Víctor, Diaz, Víctor M, Berenguer-Llergo, Antoni, Brun-Heath, Isabelle, Villegas, Núria, de Herreros, Antonio García, Aloy, Patrick
Published in Nature communications (24.06.2021)
Published in Nature communications (24.06.2021)
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Journal Article
Theoretical Evaluation of Electron Delocalization in Aromatic Molecules by Means of Atoms in Molecules (AIM) and Electron Localization Function (ELF) Topological Approaches
Poater, Jordi, Duran, Miquel, Solà, Miquel, Silvi, Bernard
Published in Chemical reviews (01.10.2005)
Published in Chemical reviews (01.10.2005)
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Journal Article
The aromatic fluctuation index (FLU): a new aromaticity index based on electron delocalization
Matito, Eduard, Duran, Miquel, Solà, Miquel
Published in The Journal of chemical physics (01.01.2005)
Published in The Journal of chemical physics (01.01.2005)
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Journal Article
Detecting similar binding pockets to enable systems polypharmacology
Duran-Frigola, Miquel, Siragusa, Lydia, Ruppin, Eytan, Barril, Xavier, Cruciani, Gabriele, Aloy, Patrick
Published in PLoS computational biology (29.06.2017)
Published in PLoS computational biology (29.06.2017)
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Journal Article
Systems analysis of intracellular pH vulnerabilities for cancer therapy
Persi, Erez, Duran-Frigola, Miquel, Damaghi, Mehdi, Roush, William R, Aloy, Patrick, Cleveland, John L, Gillies, Robert J, Ruppin, Eytan
Published in Nature communications (31.07.2018)
Published in Nature communications (31.07.2018)
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Journal Article
Patient‐reported reasons for declining same‐day antiretroviral therapy initiation in routine HIV care settings in Lusaka, Zambia: results from a mixed‐effects regression analysis
Pry, Jake, Chipungu, Jenala, Smith, Helene J, Bolton Moore, Carolyn, Mutale, Jacob, Duran‐Frigola, Miquel, Savory, Theodora, Herce, Michael E
Published in Journal of the International AIDS Society (01.07.2020)
Published in Journal of the International AIDS Society (01.07.2020)
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Journal Article
A chemo-centric view of human health and disease
Duran-Frigola, Miquel, Rossell, David, Aloy, Patrick
Published in Nature communications (01.12.2014)
Published in Nature communications (01.12.2014)
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Journal Article
Widespread Expansion of Protein Interaction Capabilities by Alternative Splicing
Yang, Xinping, Coulombe-Huntington, Jasmin, Kang, Shuli, Sheynkman, Gloria M., Hao, Tong, Richardson, Aaron, Sun, Song, Yang, Fan, Shen, Yun A., Murray, Ryan R., Spirohn, Kerstin, Begg, Bridget E., Duran-Frigola, Miquel, MacWilliams, Andrew, Pevzner, Samuel J., Zhong, Quan, Wanamaker, Shelly A., Tam, Stanley, Ghamsari, Lila, Sahni, Nidhi, Yi, Song, Rodriguez, Maria D., Balcha, Dawit, Tan, Guihong, Costanzo, Michael, Andrews, Brenda, Boone, Charles, Zhou, Xianghong J., Salehi-Ashtiani, Kourosh, Charloteaux, Benoit, Chen, Alyce A., Calderwood, Michael A., Aloy, Patrick, Roth, Frederick P., Hill, David E., Iakoucheva, Lilia M., Xia, Yu, Vidal, Marc
Published in Cell (11.02.2016)
Published in Cell (11.02.2016)
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Web Resource
Comparison of the AIM Delocalization Index and the Mayer and Fuzzy Atom Bond Orders
Matito, Eduard, Poater, Jordi, Solà, Miquel, Duran, Miquel, Salvador, Pedro
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (03.11.2005)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (03.11.2005)
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Journal Article
Molecular Structure and Bonding of Copper Cluster Monocarbonyls CunCO (n = 1−9)
POATER, Albert, DURAN, Miquel, JAQUE, Pablo, TORO-LABBé, Alejandro, SOLà, Miquel
Published in The journal of physical chemistry. B (06.04.2006)
Published in The journal of physical chemistry. B (06.04.2006)
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Journal Article
Is coronene better described by Clar's aromatic π‐sextet model or by the AdNDP representation?
Kumar, Anand, Duran, Miquel, Solà, Miquel
Published in Journal of computational chemistry (05.07.2017)
Published in Journal of computational chemistry (05.07.2017)
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Journal Article
Aromaticity Measures from Fuzzy-Atom Bond Orders (FBO). The Aromatic Fluctuation (FLU) and the para-Delocalization (PDI) Indexes
Matito, Eduard, Salvador, Pedro, Duran, Miquel, Solà, Miquel
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (20.04.2006)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (20.04.2006)
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Journal Article
Xanthine oxidase levels and immune dysregulation are independently associated with anemia in Plasmodium falciparum malaria
Vasquez, Marilyn, Sica, Margaux, Namazzi, Ruth, Opoka, Robert O, Sherman, Julian, Datta, Dibyadyuti, Duran-Frigola, Miquel, Ssenkusu, John M, John, Chandy C, Conroy, Andrea L, Rodriguez, Ana
Published in Scientific reports (07.09.2023)
Published in Scientific reports (07.09.2023)
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Journal Article
Encircling the regions of the pharmacogenomic landscape that determine drug response
Fernández-Torras, Adrià, Duran-Frigola, Miquel, Aloy, Patrick
Published in Genome medicine (26.03.2019)
Published in Genome medicine (26.03.2019)
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Journal Article
Antigen-stimulated PBMC transcriptional protective signatures for malaria immunization
Moncunill, Gemma, Scholzen, Anja, Mpina, Maximillian, Nhabomba, Augusto, Hounkpatin, Aurore Bouyoukou, Osaba, Lourdes, Valls, Raquel, Campo, Joseph J, Sanz, Hèctor, Jairoce, Chenjerai, Williams, Nana Aba, Pasini, Erica M, Arteta, David, Maynou, Joan, Palacios, Lourdes, Duran-Frigola, Miquel, Aponte, John J, Kocken, Clemens H M, Agnandji, Selidji Todagbe, Mas, José Manuel, Mordmüller, Benjamin, Daubenberger, Claudia, Sauerwein, Robert, Dobaño, Carlota
Published in Science translational medicine (13.05.2020)
Published in Science translational medicine (13.05.2020)
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