| 1 | Structure?Property Associations: Breaking Paradigms for Linking Chemical Structures and Biological Properties in Drug Discovery | Coautor: Martinez-Mayorga K., López-López E., Espinoza-Castañeda J.I., Medina-Franco J.L. | 2026 | Chemmedchem | WoS-id: 001622165000001 Scopus-id: 2-s2.0-105023422994
| 5 | 6 |
| 2 | SPARFlow: a KNIME workflow for integrated structure?activity or structure?property relationship analysis | 2ᵒ autor: Martinez-Mayorga K., Abreu-Martínez E.E., Merino G. | 2026 | JOURNAL OF CHEMINFORMATICS | WoS-id: 001748357700001 Scopus-id: 2-s2.0-105037877412
| 0 | 0 |
| 3 | 1,5-Disubstituted Tetrazoles as Promising Anticancer Resistance Agents: A Chemoinformatic Characterization | Coautor: Martinez-Mayorga, K, Garibay-Manriquez, C, Diaz-Cervantes, E, Chacon-Garcia, L, et al. | 2026 | Acs Omega | WoS-id: 001771454400001 Scopus-id: 2-s2.0-105041080327
| 0 | 0 |
| 4 | Toward Predictive Models of Biased Agonists of the Mu Opioid Receptor | Coautor: Martinez-Mayorga K., Tun-Rosado F.J., Abreu-Martínez E.E., Magdaleno-Rodriguez A. | 2025 | BIOCHEMISTRY | WoS-id: 001463376300001 Scopus-id: 2-s2.0-105002366296
| 3 | 3 |
| 5 | Milestones in cheminformatics | 1ᵉʳ autor: Martinez-Mayorga, K, Medina-Franco, JL | 2025 | JOURNAL OF CHEMINFORMATICS | WoS-id: 001528998000002 Scopus-id: 2-s2.0-105010698262
| 2 | 2 |
| 6 | Disruptions in bioactivity driven by dose: a challenge for drug discovery | 2ᵒ autor y autor de correspondencia: Martinez-Mayorga K., Ramírez-Palma D. | 2025 | DRUG DISCOVERY TODAY | WoS-id: 001583425900001 Scopus-id: 2-s2.0-105016306202
| 5 | 5 |
| 7 | DiaNat-DB-v2: A Molecular Database of Antidiabetic Compounds from Medicinal Plants and Functional Foods | Coautor: Martinez-Mayorga K., De Jesús-Reyes N., García-Vázquez J., Avellaneda-Tamayo J.F., et al. | 2025 | Acs Omega | WoS-id: 001623178800001 Scopus-id: 2-s2.0-105035406022
| 0 | 0 |
| 8 | Synthesis of bisindolyl diphenylene from its ketone derivatives by infrared irradiation supported on a natural clay | Coautor: Martínez-Mayorga K., Mora R.A.L., Barrera-Téllez F., Rosas-Jiménez J.G., et al. | 2024 | CANADIAN JOURNAL OF CHEMISTRY | WoS-id: 001074727500001 Scopus-id: 2-s2.0-85181850479
| 0 | 0 |
| 9 | Are new ideas harder to find? A note on incremental research and Journal of Cheminformatics? Scientific Contribution Statement | Coautor: Martinez-Mayorga K., Zdrazil B., Guha R., Jeliazkova N. | 2024 | JOURNAL OF CHEMINFORMATICS | WoS-id: 001142502800001 Scopus-id: 2-s2.0-85182474214
| 0 | 1 |
| 10 | The pursuit of accurate predictive models of the bioactivity of small molecules | Coautor: Martinez-Mayorga K., Gonzalez-Ponce K., Neme A., Rosas-Jiménez J.G., et al. | 2024 | CHEMICAL SCIENCE | WoS-id: 001143528400001 Scopus-id: 2-s2.0-85182872710
| 29 | 32 |
| 11 | To Bind or Not to Bind? A Comprehensive Characterization of TIR1 and Auxins Using Consensus In Silico Approaches | Coautor y autor de correspondencia: Martínez-Mayorga K., Prieto-Martínez F.D., Mendoza-Cañas J. | 2024 | Computation | WoS-id: 001232994400001 Scopus-id: 2-s2.0-85194264566
| 1 | 1 |
| 12 | Quantum Topological Atomic Properties of 44K molecules | Coautor: Martínez-Mayorga, K, Meza-González, B, Ramírez-Palma, DI, Carpio-Martínez, P, et al. | 2024 | Scientific Data | WoS-id: 001303626100001 Scopus-id: 2-s2.0-85202808116
| 4 | 3 |
| 13 | A look back at a pilot of the citation typing ontology | Coautor: Martinez-Mayorga, Karina, Guha, Rajarshi, Zdrazil, Barbara, Jeliazkova, Nina | 2023 | JOURNAL OF CHEMINFORMATICS | WoS-id: 000926216400004 Scopus-id: 2-s2.0-85147530869
| 1 | 1 |
| 14 | Modifications in the piperazine ring of nucleozin affect anti-influenza activity | Coautor: Martinez-Mayorga, Karina, Correa-Padilla, Erick, Hernandez-Cano, Alejandro, Cuevas, Gabriel, et al. | 2023 | PLOS ONE | WoS-id: 000960011600001 Scopus-id: 2-s2.0-85147861327
| 5 | 5 |
| 15 | Improving reproducibility and reusability in the Journal of Cheminformatics | Coautor: Martinez-Mayorga K., Hoyt C.T., Zdrazil B., Guha R., et al. | 2023 | JOURNAL OF CHEMINFORMATICS | WoS-id: 001022413600001 Scopus-id: 2-s2.0-85163884394
| 5 | 5 |
| 16 | School of cheminformatics in Latin America | Coautor: Martinez-Mayorga, Karina, Gonzalez-Ponce, Karla, Horta Andrade C., Hunter, Fiona, et al. | 2023 | JOURNAL OF CHEMINFORMATICS | WoS-id: 001070256500002 Scopus-id: 2-s2.0-85171459238
| 4 | 4 |
| 17 | In Silico Exploration of the Trypanothione Reductase (TryR) of L. mexicana | Coautor: Martínez-Mayorga K., Barrera-Téllez F.J., Prieto-Martínez F.D., Hernández-Campos A., et al. | 2023 | INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES | WoS-id: 001114525400001 Scopus-id: 2-s2.0-85178334825
| 2 | 2 |
| 18 | Epilogue to the Gerald Maggiora Festschrift: a tribute to an exemplary mentor, colleague, collaborator, and innovator | Coautor: Martinez-Mayorga, Karina, Shanmugasundaram, Veerabahu, Bajorath, Juergen, Christoffersen, Ralph E., et al. | 2022 | JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN | WoS-id: 000854389800001 Scopus-id: 2-s2.0-85138158321
| 0 | 0 |
| 19 | Subtle structural differences of nucleotide analogs may impact SARS-CoV-2 RNA-dependent RNA polymerase and exoribonuclease activity | Coautor: Martinez-Mayorga, Karina, Madariaga-Mazon, Abraham, Naveja, Jose J., Becerra, Arturo, et al. | 2022 | Computational and Structural Biotechnology Journal | WoS-id: 000875635800009 Scopus-id: 2-s2.0-85138454866
| 2 | 2 |
| 20 | DiaNat-DB: A molecular database of antidiabetic compounds from medicinal plants | Coautor: Martinez-Mayorga K., Madariaga-Mazón A., Naveja J.J., Medina-Franco J.L., et al. | 2021 | RSC ADVANCES | WoS-id: 000612838700044 Scopus-id: 2-s2.0-85100170169
| 27 | 35 |
| 21 | Membrane Curvature Revisited the Archetype of Rhodopsin Studied by Time-Resolved Electronic Spectroscopy | Coautor: Martinez-Mayorga, Karina, Fried, Steven D. E., Lewis, James W., Szundi, Istvan, et al. | 2021 | BIOPHYSICAL JOURNAL | WoS-id: 000630949500006 Scopus-id: 2-s2.0-85099479302
| 19 | 17 |
| 22 | Predictive Global Models of Cruzain Inhibitors with Large Chemical Coverage | Coautor: Martinez-Mayorga, Karina, Guadalupe Rosas-Jimenez, Jose, Garcia-Revilla, Marco A., Madariaga-Mazon, Abraham | 2021 | Acs Omega | WoS-id: 000631101200024 Scopus-id: 2-s2.0-85103483571
| 16 | 18 |
| 23 | Union is strength: antiviral and anti-inflammatory drugs for COVID-19 | Coautor: Martinez-Mayorga, Karina, Naveja, Jose J., Madariaga-Mazon, Abraham, Flores-Murrieta, Francisco, et al. | 2021 | DRUG DISCOVERY TODAY | WoS-id: 000632655700011 Scopus-id: 2-s2.0-85095590581
| 22 | 22 |
| 24 | Bias-inducing allosteric binding site in mu-opioid receptor signaling | Coautor y autor de correspondencia: Martinez-Mayorga, Karina, Marmolejo-Valencia, Andres F., Madariaga-Mazon, Abraham | 2021 | Sn Applied Sciences | WoS-id: 000641256800001 Scopus-id: 2-s2.0-85104770788
| 6 | 8 |
| 25 | Encoding mu-opioid receptor biased agonism with interaction fingerprints | Coautor: Martinez-Mayorga, Karina, Bruno Hernandez-Alvarado, R., Madariaga-Mazon, Abraham, Cosme-Vela, Fernando, et al. | 2021 | JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN | WoS-id: 000712176800001 Scopus-id: 2-s2.0-85118209971
| 3 | 3 |
| 26 | Rationality over fashion and hype in drug design | 2ᵒ autor: Martinez-Mayorga K., Medina-Franco J.L., Fernández-De Gortari E., Kirchmair J., et al. | 2021 | F1000 Research | Scopus-id: 2-s2.0-85107836930
| 0 | 26 |
| 27 | The impact of chemoinformatics on drug discovery in the pharmaceutical industry | 1ᵉʳ autor: Martinez-Mayorga, Karina, Madariaga-Mazon, Abraham, Medina-Franco, Jose L., Maggiora, Gerald | 2020 | EXPERT OPINION ON DRUG DISCOVERY | WoS-id: 000509317000001 Scopus-id: 2-s2.0-85078419784
| 69 | 80 |
| 28 | DARK Classics in Chemical Neuroscience: Salvinorin A | Coautor: Martinez-Mayorga, Karina, Hernandez-Alvarado, R. Bruno, Madariaga-Mazon, Abraham, Ortega, Alfredo | 2020 | ACS CHEMICAL NEUROSCIENCE | WoS-id: 000596879100012 Scopus-id: 2-s2.0-85096710288
| 20 | 24 |
| 29 | Distribution of toxicity values across different species and modes of action of pesticides from PESTIMEP and PPDB databases | Coautor: Martinez-Mayorga, Karina, Madariaga-Mazon, Abraham, Osnaya-Hernandez, Adriana, Chavez-Gomez, Arni, et al. | 2019 | TOXICOLOGY RESEARCH | WoS-id: 000460303900017 Scopus-id: 2-s2.0-85062329335
| 9 | 12 |
| 30 | Enhancing Acute Oral Toxicity Predictions by using Consensus Modeling and Algebraic Form-Based 0D-to-2D Molecular Encodes | Coautor: Martinez-Mayorga K., García-Jacas C.R., Marrero-Ponce Y., Cortés-Guzmán F., et al. | 2019 | CHEMICAL RESEARCH IN TOXICOLOGY | WoS-id: 000472241800029 Scopus-id: 2-s2.0-85067419259
| 27 | 27 |
| 31 | (Q) SAR, agrochemicals & regulation: The role of the computational and chemical biology group at Unam, Mexico | Coautor: Martinez Mayorga, Karina, Madariaga, Abraham, Barroso-Flores, Joaquin, Cortes-Guzman, Fernando | 2019 | Abstracts Of Papers Of The American Chemical Society | WoS-id: 000478860500077
| 0 | 0 |
| 32 | Local vs global models for the prediction of acute oral toxicity in rat | Coautor: Mayorga, Karina Martinez, Hernandez, Bruno, Gomez-Jimenez, Gabriela, Madariaga, Abraham | 2019 | Abstracts Of Papers Of The American Chemical Society | WoS-id: 000478860500100
| 0 | 0 |
| 33 | Classification models of pesticides by mode of action | Coautor: Mayorga, Karina Martinez, Osnaya-Hernandez, Adriana, Gomez-Jimenez, Gabriela, Chavez, Daniel, et al. | 2019 | Abstracts Of Papers Of The American Chemical Society | WoS-id: 000478860503857
| 0 | 0 |
| 34 | Learn deep before deep learning | 1ᵉʳ autor: Mayorga, Karina Martinez, Gomez Jimenez, Gabriela, Madariaga-Mazon, Abraham | 2019 | Abstracts Of Papers Of The American Chemical Society | WoS-id: 000478860503904
| 0 | 0 |
| 35 | Computational toxicology e-textbook: A tool for an undergraduate course to understand and use toxicological information to avoid risk | 2ᵒ autor y autor de correspondencia: Martinez Mayorga, Karina, Gonzalez Ponce, Karla | 2019 | Abstracts Of Papers Of The American Chemical Society | WoS-id: 000478861200502
| 0 | 0 |
| 36 | Flexibility at different stages of mechanism of activation of the GPCR-prototype agrees with local motions explored by molecular dynamics simulations | Coautor y autor de correspondencia: Martinez Mayorga, Karina, Gonzalez Ponce, Karla, Madariaga, Abraham | 2019 | Abstracts Of Papers Of The American Chemical Society | WoS-id: 000478861202634
| 0 | 0 |
| 37 | Pharmacophore generation of mu-opioid receptor biased-ligands: Uncovering structural features from molecular modeling analysis | Coautor y autor de correspondencia: Mayorga, Karina Martinez, Hernandez, Bruno, Madariaga, Abraham | 2019 | Abstracts Of Papers Of The American Chemical Society | WoS-id: 000478861202645
| 0 | 0 |
| 38 | Structure-based identification of a potential non-catalytic binding site for rational drug design in the fructose 1,6-biphosphate aldolase from Giardia lamblia | Coautor: Martinez-Mayorga, Karina, Mendez, Sara-Teresa, Castillo-Villanueva, Adriana, Reyes-Vivas, Horacio, et al. | 2019 | SCIENTIFIC REPORTS | WoS-id: 000480517600008 Scopus-id: 2-s2.0-85070903478
| 3 | 3 |
| 39 | Prediction of toxicity of secondary metabolites | Coautor y autor de correspondencia: Martinez-Mayorga, Karina, Bruno Hernandez-Alvarado, Ricardo, Madariaga-Mazon, Abraham | 2019 | Physical Sciences Reviews | WoS-id: 000494966100005 Scopus-id: 2-s2.0-85077370439
| 4 | 6 |
| 40 | Toxicity of secondary metabolites | Coautor: Martinez-Mayorga, Karina, Madariaga-Mazon, Abraham, Bruno Hernandez-Alvarado, Ricardo, Olivia Noriega-Colima, Karla, et al. | 2019 | Physical Sciences Reviews | WoS-id: 000498892300005 Scopus-id: 2-s2.0-85077334778
| 21 | 48 |
| 41 | Chemical space of in-use and banned pesticides | 1ᵉʳ autor: Mayorga, Karina Martinez, Chavez-Gomez, Daniel, Cortes-Guzman, Fernando | 2018 | Abstracts Of Papers Of The American Chemical Society | WoS-id: 000435537700098
| 0 | 0 |
| 42 | From KDD to computational toxicology: A course for graduate students in Mexico | 1ᵉʳ autor: Mayorga, Karina Martinez, Gonzalez-Ponce, Karla | 2018 | Abstracts Of Papers Of The American Chemical Society | WoS-id: 000435537703310
| 0 | 0 |
| 43 | Search of biased mu-opioid receptor ligands from nature | Coautor y autor de correspondencia: Mayorga, Karina Martinez, Madariaga, Abraham, Marmolejo, Andres | 2018 | Abstracts Of Papers Of The American Chemical Society | WoS-id: 000447600003316
| 0 | 0 |
| 44 | Outlook on the development of antidiabetic compounds: Databases, scaffolds and current trends | 2ᵒ autor y autor de correspondencia: Mayorga, Karina Martinez, Madariaga, Abraham | 2018 | Abstracts Of Papers Of The American Chemical Society | WoS-id: 000447600003356
| 0 | 0 |
| 45 | The OECD Principles for (Q)SAR Models in the Context of Knowledge Discovery in Databases (KDD) | Coautor: Martinez-Mayorga K., Gomez-Jimenez G., Gonzalez-Ponce K., Castillo-Pazos D.J., et al. | 2018 | Advances in Protein Chemistry and Structural Biology | WoS-id: 000452395800005 Scopus-id: 2-s2.0-85046685330
| 30 | 35 |
| 46 | Database fingerprint (DFP): an approach to represent molecular databases | Coautor: Martinez-Mayorga, Karina, Fernandez-de Gortari, Eli, Garcia-Jacas, Cesar R., Medina-Franco, Jose L. | 2017 | JOURNAL OF CHEMINFORMATICS | WoS-id: 000394312200001 Scopus-id: 2-s2.0-85011559271
| 79 | 86 |
| 47 | Conformation-dependent QSAR approach for the prediction of inhibitory activity of bromodomain modulators | 2ᵒ autor: Martinez-Mayorga, K., Garcia-Jacas, C. R., Marrero-Ponce, Y., Medina-Franco, J. L. | 2017 | SAR AND QSAR IN ENVIRONMENTAL RESEARCH | WoS-id: 000395173400003 Scopus-id: 2-s2.0-85011681208
| 18 | 20 |
| 48 | Allosteric modulation model of the mu opioid receptor by herkinorin, a potent not alkaloidal agonist | 2ᵒ autor y autor de correspondencia: Martinez-Mayorga, K., Marmolejo-Valencia, A. F. | 2017 | JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN | WoS-id: 000401265900004 Scopus-id: 2-s2.0-85016591603
| 16 | 17 |
| 49 | QuBiLS-MAS, open source multi-platform software for atom- and bond-based topological (2D) and chiral (2.5D) algebraic molecular descriptors computations | Coautor: Martinez-Mayorga, Karina, Valdes-Martini, Jose R., Marrero-Ponce, Yovani, Garcia-Jacas, Cesar R., et al. | 2017 | JOURNAL OF CHEMINFORMATICS | WoS-id: 000403106200001 Scopus-id: 2-s2.0-85020299774
| 60 | 64 |
| 50 | A 3D structural model of RsXXVIA, an omega-conotoxin | Coautor: Martinez-Mayorga, Karina, Roman-Gonzalez, Sergio A., Edinho Robles-Gomez, Edson, Reyes, Jorge, et al. | 2017 | STRUCTURAL CHEMISTRY | WoS-id: 000404241800001 Scopus-id: 2-s2.0-84996538634
| 2 | 2 |
| 51 | Tensor algebra-based geometric methodology to codify central chirality on organic molecules | Coautor: Martinez-Mayorga, K., Garcia-Jacas, C. R., Marrero-Ponce, Y., Hernandez-Ortega, T., et al. | 2017 | SAR AND QSAR IN ENVIRONMENTAL RESEARCH | WoS-id: 000406128400007 Scopus-id: 2-s2.0-85023751735
| 4 | 4 |
| 52 | Targeting cancer-specific glycans by cyclic peptide lectinomimics | Coautor: Martinez Mayorga, Karina, Rodriguez, Maria C., Yongye, Austin B., Cudic, Mihael, et al. | 2017 | Amino Acids | WoS-id: 000412914100007 Scopus-id: 2-s2.0-85029115451
| 9 | 11 |
| 53 | Mu-Opioid receptor biased ligands: A safer and painless discovery of analgesics? | Coautor: Martinez-Mayorga, Karina, Madariaga-Mazon, Abraham, Marmolejo-Valencia, Andres F., Li, Yangmei, et al. | 2017 | DRUG DISCOVERY TODAY | WoS-id: 000416496500012 Scopus-id: 2-s2.0-85028072141
| 92 | 102 |
| 54 | Toxicity Assessment of Structurally Relevant Natural Products from Mexican Plants with Antinociceptive Activity | 1ᵉʳ autor: Martinez-Mayorga, Karina, Marmolejo-Valencia, Andres F., Cortes-Guzman, Fernando, Carlos Garcia-Ramos, Juan, et al. | 2017 | Journal Of The Mexican Chemical Society | WoS-id: 000423271500003
| 9 | 0 |
| 55 | Exploring opioid receptor-ligand binding patterns, as a fingerprint to identify potential biased agonists | 1ᵉʳ autor: Mayorga, Karina Martinez, Madariaga-Mazon, Abraham, Garcia-Jacas, Cesar | 2017 | Abstracts Of Papers Of The American Chemical Society | WoS-id: 000429525602762
| 0 | 0 |
| 56 | Allosteric modulation model of the mu opioid receptor by herkinorin via docking, molecular dynamics simulations and alchemical free energy calculations | 1ᵉʳ autor: Mayorga, Karina Martinez, Marmolejo-Valencia, Andres | 2017 | Abstracts Of Papers Of The American Chemical Society | WoS-id: 000429525603807
| 0 | 0 |
| 57 | Identification of potent and compartment-selective small molecule furin inhibitors using cell-based assays | Coautor: Martinez-Mayorga K., Ramos-Molina B., Lick A.N., Blanco E.H., et al. | 2015 | BIOCHEMICAL PHARMACOLOGY | WoS-id: 000357066300004 Scopus-id: 2-s2.0-84930576034
| 12 | 16 |
| 58 | Cruzain inhibitors: efforts made, current leads and a structural outlook of new hits | 1ᵉʳ autor: Martinez-Mayorga K., Byler K.G., Ramirez-Hernandez A.I., Terrazas-Alvares D.E. | 2015 | DRUG DISCOVERY TODAY | WoS-id: 000358390800014 Scopus-id: 2-s2.0-84936846448
| 51 | 59 |
| 59 | A theoretical biogenesis overview of diterpenes isolated from Salvia microphylla | Coautor: Martinez-Mayorga K., Posada-Salgado J.A., Bautista E., Cuevas G. | 2015 | JOURNAL OF MOLECULAR MODELING | WoS-id: 000384976900001 Scopus-id: 2-s2.0-84946831898
| 3 | 3 |
| 60 | Interaction fingerprints and their applications to identify hot spots | Coautor: Martinez-Mayorga K., Marmolejo A.F., Medina-Franco J.L., Giulianotti M. | 2015 | Methods in Molecular Biology | Scopus-id: 2-s2.0-84938885789
| 0 | 3 |
| 61 | Balancing novelty with confined chemical space in modern drug discovery | 2ᵒ autor: Martinez-Mayorga K., Medina-Franco J.L., Meurice N. | 2014 | EXPERT OPINION ON DRUG DISCOVERY | WoS-id: 000330074400005 Scopus-id: 2-s2.0-84893101922
| 46 | 54 |
| 62 | Retinal ligand mobility explains internal hydration and reconciles active rhodopsin structures | Coautor: Martínez-Mayorga K., Leioatts N., Mertz B., Romo T.D., et al. | 2014 | BIOCHEMISTRY | WoS-id: 000330204800011 Scopus-id: 2-s2.0-84892685953
| 48 | 42 |
| 63 | The Interplay Between Molecular Modeling and Chemoinformatics to Characterize Protein-Ligand and Protein-Protein Interactions Landscapes for Drug Discovery | Coautor y autor de correspondencia: Martinez-Mayorga K., Medina-Franco J.L., Méndez-Lucio O. | 2014 | Advances in Protein Chemistry and Structural Biology | WoS-id: 000344511900002 Scopus-id: 2-s2.0-84913581995
| 27 | 33 |
| 64 | Synthesis, anti-inflammatory activity and modeling studies of cycloartane-type terpenes derivatives isolated from Parthenium argentatum | Coautor: Martinez-Mayorga K., Romero J.C., Martínez-Vázquez A., Herrera M.P., et al. | 2014 | BIOORGANIC & MEDICINAL CHEMISTRY | WoS-id: 000345650800018 Scopus-id: 2-s2.0-84913530198
| 17 | 19 |
| 65 | Identification of a Small Molecule That Selectively Inhibits Mouse PC2 over Mouse PC1/3: A Computational and Experimental Study | Coautor: Martinez-Mayorga K., Yongye A.B., Vivoli M., Lindberg I., et al. | 2013 | PLOS ONE | WoS-id: 000316658800053 Scopus-id: 2-s2.0-84874335068
| 4 | 6 |
| 66 | The role of imidazole in peptide cyclization by transesterification: parallels to the catalytic triads of serine proteases | Coautor: Martinez-Mayorga K., Byler K.G., Li Y., Houghten R.A. | 2013 | ORGANIC & BIOMOLECULAR CHEMISTRY | WoS-id: 000317692400011 Scopus-id: 2-s2.0-84879473389
| 20 | 21 |
| 67 | Systematic mining of generally recognized as safe (GRAS) flavor chemicals for bioactive compounds | 1ᵉʳ autor: Martinez-Mayorga K., Peppard T.L., López-Vallejo F., Yongye A.B., et al. | 2013 | JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY | WoS-id: 000323020500012 Scopus-id: 2-s2.0-84881260273
| 25 | 31 |
| 68 | Ligand/kappa-opioid receptor interactions: Insights from the X-ray crystal structure | 1ᵉʳ autor: Martinez-Mayorga K., Byler K.G., Yongye A.B., Giulianotti M.A., et al. | 2013 | EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY | WoS-id: 000323628500012 Scopus-id: 2-s2.0-84879219202
| 13 | 12 |
| 69 | Modeling of potent and selective kappa opioid receptor peptide inhibitors in light of the X-ray crystal structure | 1ᵉʳ autor: Martinez-Mayorga, K, Byler, KG, Yongye, AB, Giulianotti, MA, et al. | 2013 | Abstracts Of Papers Of The American Chemical Society | WoS-id: 000323851304318
| 0 | 0 |
| 70 | Molecular modeling of trypanosomal cathepsins | 1ᵉʳ autor: Martinez-Mayorga, K, Byler, KG | 2013 | Abstracts Of Papers Of The American Chemical Society | WoS-id: 000323851304319
| 0 | 0 |
| 71 | Identification of benzoylisoquinolines as potential anti-Chagas agents | Coautor: Martínez-Mayorga K., Byler K.G., Brito-Arias M., Marquez-Navarro A., et al. | 2012 | BIOORGANIC & MEDICINAL CHEMISTRY | WoS-id: 000302767100013 Scopus-id: 2-s2.0-84859423617
| 10 | 13 |
| 72 | Recognizing Pitfalls in Virtual Screening: A Critical Review | Coautor: Martínez-Mayorga K., Scior T., Bender A., Tresadern G., et al. | 2012 | JOURNAL OF CHEMICAL INFORMATION AND MODELING | WoS-id: 000303038000001 Scopus-id: 2-s2.0-84862027743
| 346 | 409 |
| 73 | Furin inhibitors: Importance of the positive formal charge and beyond | 2ᵒ autor y autor de correspondencia: Martínez-Mayorga K., López-Vallejo F. | 2012 | BIOORGANIC & MEDICINAL CHEMISTRY | WoS-id: 000305952500033 Scopus-id: 2-s2.0-84863221458
| 13 | 14 |
| 74 | Molecular recognition of the thomsen-friedenreich antigen-threonine conjugate by adhesion/growth regulatory galectin-3: Nuclear magnetic resonance studies and molecular dynamics simulations | Coautor: Martínez-Mayorga K., Yongye A.B., Calle L., Ardá A., et al. | 2012 | BIOCHEMISTRY | WoS-id: 000308787600007 Scopus-id: 2-s2.0-84866386447
| 30 | 30 |
| 75 | Erratum: Furin inhibitors: Importance of the positive formal charge and beyond (Bioorganic and Medicinal Chemistry (2012) 20 (4462-4471)) | 2ᵒ autor y autor de correspondencia: Martínez-Mayorga K., López-Vallejo F. | 2012 | BIOORGANIC & MEDICINAL CHEMISTRY | WoS-id: 000309594200020 Scopus-id: 2-s2.0-84866921102
| 1 | 1 |
| 76 | Prediction of the experimental regioselectivity of C 60 fullerene bis-adducts | Coautor: Martínez-Mayorga K., Chaker L., Yongye A.B., Nefzi A. | 2012 | JOURNAL OF PHYSICAL ORGANIC CHEMISTRY | WoS-id: 000310486900004 Scopus-id: 2-s2.0-84867877989
| 3 | 3 |
| 77 | Chemoinformatic Analysis of GRAS (Generally Recognized as Safe) Flavor Chemicals and Natural Products | 2ᵒ autor: Martínez-Mayorga K., Medina-Franco J.L., Peppard T.L., Del Rio A. | 2012 | PLOS ONE | WoS-id: 000312376100197 Scopus-id: 2-s2.0-84870663645
| 32 | 42 |
| 78 | Chemoinformatics-applications in food chemistry | 1ᵉʳ autor: Martinez-Mayorga K., Medina-Franco J.L. | 2009 | Advances in Food and Nutrition Research | WoS-id: 000310873800002 Scopus-id: 2-s2.0-77953623077
| 23 | 30 |
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| 9 | 0 |