Resultats - Quimioinformàtica i Nutrició
Quimioinformàtica i Nutrició
| Tesis Doctorals Dirigides / Theses |
| 2021 | 2022 | 2023 | 2024 | 2025 |
|---|
| Títol: Application of machine learning methods on SARS-Cov-2: Mortality prediction by using health and nutritional factors and prediction of recurrent mutations |
| Autor: Saldivar Espinoza, Bryan Percy |
| Director: Cereto Massagué, Adrián José; Pujadas Anguiano, Gerard; Garcia Vallve, Santiago |
| Universitat: N/D |
| Any: 2024 |
| País: N/D |
| Títol: Studying the limits of protein-ligand docking to predict new non-covalent inhibitors for the SARSCoV-2 main protease |
| Autor: Macip Sancho, Guillem |
| Director: Pujadas Anguiano, Gerard; Garcia Vallve, Santiago |
| Universitat: N/D |
| Any: 2023 |
| País: N/D |
| Publicacions en Revista / Papers |
| 2021 | 2022 | 2023 | 2024 | 2025 |
|---|
| Títol: SARS-CoV-2 main protease (M-pro) mutational profiling: An insight into mutation coldspots |
| Autors: Garcia-Segura; P; Llop-Peiró; A; Novau-Ferré; N; Mestres-Truyol; J; Saldivar-Espinoza; B; Pujadas; G; Garcia-Vallvé; S |
| Any: 2025 Clau: Article |
| Revista: Computers In Biology And Medicine |
| País: N/D |
| Títol: PDB-CAT: A user-friendly tool to classify and analyze PDB protein-ligand complexes |
| Autors: Llop-Peiro, A; Trujillo-De Leon, S; Pujadas, G; Garcia-Vallvé, S; Gimeno, A |
| Any: 2025 Clau: Article |
| Revista: Protein Science |
| País: N/D |
| Títol: Ligand- and Structure-Based Virtual Screening Identifies New Inhibitors of the Interaction of the SARS-CoV-2 Spike Protein with the ACE2 Host Receptor |
| Autors: Delgado-Maldonado, T; González-González, A; Moreno-Rodríguez, A; Bocanegra-García, V; Martinez-Vazquez, AV; de Luna-Santillana, ED; Pujadas, G; Rojas-Verde, G; Lara-Ramírez, EE; Rivera, G |
| Any: 2024 Clau: Article |
| Revista: Pharmaceutics |
| País: N/D |
| Títol: Are protein-ligand docking programs good enough to predict experimental poses of noncovalent ligands bound to the SARS-CoV-2 main protease? |
| Autors: Llop-Peiro, A; Macip, G; Garcia-Vallve, S; Pujadas, G |
| Any: 2024 Clau: Review |
| Revista: Drug Discovery Today |
| País: N/D |
| Títol: Challenges in distinguishing functional proteins from polyproteins in databases: implications for drug discovery |
| Autors: Llop-Peiró, A; Pujadas, G; Garcia-Vallvé, S |
| Any: 2024 Clau: Article |
| Revista: Briefings In Bioinformatics |
| País: N/D |
| Títol: Identification of N-Acyl Hydrazones as New Non-Zinc-Binding MMP-13 Inhibitors by Structure-Based Virtual Screening Studies and Chemical Optimization |
| Autors: Cuffaro, D; Gimeno, A; Bernardoni, BL; Di Leo, R; Pujadas, G; Garcia-Vallve, S; Nencetti, S; Rossello, A; Nuti, E |
| Any: 2023 Clau: Article |
| Revista: International Journal Of Molecular Sciences |
| País: N/D |
| Títol: Recent advances in the development of methyltransferase (MTase) inhibitors against (re)emerging arboviruses diseases dengue and Zika |
| Autors: Delgado-Maldonado, T; Moreno-Herrera, A; Pujadas, G; Vázquez-Jiménez, LK; González-González, A; Rivera, G |
| Any: 2023 Clau: Review |
| Revista: European Journal Of Medicinal Chemistry |
| País: N/D |
| Títol: Drug Potency Prediction of SARS-CoV-2 Main Protease Inhibitors Based on a Graph Generative Model |
| Autors: Fadlallah, S; Julià, C; García-Vallvé, S; Pujadas, G; Serratosa, F |
| Any: 2023 Clau: Article |
| Revista: International Journal Of Molecular Sciences |
| País: N/D |
| Títol: The Mutational Landscape of SARS-CoV-2 |
| Autors: Saldivar-Espinoza, B; Garcia-Segura, P; Novau-Ferré, N; Macip, G; Martínez, R; Puigbò, P; Cereto-Massagué, A; Pujadas, G; Garcia-Vallve, S |
| Any: 2023 Clau: Article |
| Revista: International Journal Of Molecular Sciences |
| País: N/D |
| Títol: Haste makes waste: A critical review of docking-based virtual screening in drug repurposing for SARS-CoV-2 main protease (M-pro) inhibition |
| Autors: Macip, G; Garcia-Segura, P; Mestres-Truyol, J; Saldivar-Espinoza, B; Ojeda-Montes, MJ; Gimeno, A; Cereto-Massagué, A; Garcia-Vallvé, S; Pujadas, G |
| Any: 2022 Clau: Review |
| Revista: Medicinal Research Reviews |
| País: N/D |
| Títol: A review of the current landscape of SARS-CoV-2 main protease inhibitors: Have we hit the bullseye yet? |
| Autors: Macip, G; Garcia-Segura, P; Mestres-Truyol, J; Saldivar-Espinoza, B; Pujadas, G; Garcia-Vallvé, S |
| Any: 2022 Clau: Review |
| Revista: International Journal Of Molecular Sciences |
| País: N/D |
| Títol: Prediction of Recurrent Mutations in SARS-CoV-2 Using Artificial Neural Networks |
| Autors: Saldivar-Espinoza, B; Macip, G; Garcia-Segura, P; Mestres-Truyol, J; Puigbò, P; Cereto-Massagué, A; Pujadas, G; Garcia-Vallve, S |
| Any: 2022 Clau: Article |
| Revista: International Journal Of Molecular Sciences |
| País: N/D |
| Títol: Identification of Broad-Spectrum MMP Inhibitors by Virtual Screening |
| Autors: Gimeno, Aleix; Cuffaro, Doretta; Nuti, Elisa; Ojeda-Montes, Maria Jose; Beltran-Debon, Raul; Mulero, Miquel; Rossello, Armando; Pujadas, Gerard; Garcia-Vallve, Santiago |
| Any: 2021 Clau: Article |
| Revista: Molecules |
| País: N/D |
| Títol: Anti¿inflammatory and immunomodulatory effects of the grifola frondosa natural compound o¿orsellinaldehyde on lps¿challenged murine primary glial cells. Roles of nf¿¿¿ and mapk |
| Autors: Tomas-Hernandez, Sarah; Blanco, Jordi; Garcia-Vallve, Santiago; Pujadas, Gerard; Ojeda-Montes, Maria Jose; Gimeno, Aleix; Arola, Lluis; Minghetti, Luisa; Beltran-Debon, Raul; Mulero, Miguel |
| Any: 2021 Clau: Article |
| Revista: Pharmaceutics |
| País: N/D |
| Llibres / Books |
| 2021 | 2022 | 2023 | 2024 | 2025 |
|---|
| Capítols de Llibre / Book chapters |
| 2021 | 2022 | 2023 | 2024 | 2025 |
|---|
| Títol: Mining for Bioactive Molecules in Open Databases |
| Autors: Macip G; Mestres-Truyol J; Garcia-Segura P; Saldivar-Espinoza B; Garcia-Vallvé S; Pujadas G |
| Any: 2023 Clau: Book Chapters |
| Altres Documents / Other documents |
| 2021 | 2022 | 2023 | 2024 | 2025 |
|---|
| Patents Sol.licitades / Patents |
| 2021 | 2022 | 2023 | 2024 | 2025 |
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| Congressos / Conferences |
| 2021 | 2022 | 2023 | 2024 | 2025 |
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