Browsing by Subject Drug Design

Results 1 to 18 of 18
Issue DateTitleAuthor(s)TypeAccess
Dec-2023Artificial intelligence for prediction of biological activities and generation of molecular hits using stereochemical informationPereira, Tiago O. ; Abbasi, Maryam ; Oliveira, Rita I. ; Guedes, Romina A. ; Salvador, Jorge A. R. ; Arrais, Joel P. articleopenAccess
2016Can the CEIBA Cocktail Designed for Human Cytochrome P450 Enzymes be Used in the Rat for Drug Interaction Studies?Magalhães, Paulo ; De Andrés, Fernando; Falcão, Amílcar ; LLerena, Adrián; Alves, Gilberto articleopenAccess
25-Oct-2019Chemical Patterns of Proteasome Inhibitors: Lessons Learned from Two Decades of Drug DesignGuedes, Romina A. ; Aniceto, Natália; Andrade, Marina A. P.; Salvador, Jorge A. R. ; Guedes, Rita C.articleopenAccess
27-Mar-2019A Complete Assessment of Dopamine Receptor- Ligand Interactions through Computational MethodsBueschbell, Beatriz ; Barreto, Carlos A. V. ; Preto, Antonio J. ; Schiedel, Anke C.; Moreira, Irina S. articleopenAccess
16-Jul-2016Computational Approaches for the Discovery of Human Proteasome Inhibitors: An OverviewGuedes, Romina A. ; Serra, Patrícia; Salvador, Jorge A. R. ; Guedes, Rita C.articleopenAccess
4-Apr-2023Deep-Learning Application to in silico Drug DesignGomes, António José Preto MartinsdoctoralThesisopenAccess
9-Mar-2021Diversity oriented Deep Reinforcement Learning for targeted molecule generationPereira, Tiago ; Abbasi, Maryam ; Ribeiro, Bernardete ; Arrais, Joel P. articleopenAccess
30-Sep-2022Docking based strategies for the validation of deep learning generative models - And the search for novel ligands for A2aR, JAK2, KOR AND USP7.Avila, Henrique de VasconcellosmasterThesisopenAccess
16-Sep-2021Drug Discovery with Generative Adversarial NetworksSantos, Beatriz de Jesus PereiramasterThesisembargoedAccess
28-Sep-2022End-to-End Transformer-based Approach for Optimized De Novo Drug DesignMachado, Ana Catarina DiasmasterThesisembargoedAccess
Jan-2009Investigating drug-induced mitochondrial toxicity: a biosensor to increase drug safety?Pereira, Cláudia V. ; Moreira, Ana C. ; Pereira, Susana P. ; Machado, Nuno G. ; Carvalho, Filipa S. ; Sardão, Vilma A. ; Oliveira, Paulo J. articleopenAccess
22-Jul-2020Multi-Objective Deep Reinforcement Learning in Drug DiscoveryPereira, Tiago OliveiramasterThesisembargoedAccess
7-Feb-2019New Multitarget Hybrids Bearing Tacrine and Phenylbenzothiazole Motifs as Potential Drug Candidates for Alzheimer's DiseaseRajeshwari, Rajeshwari; Chand, Karam; Candeias, Emanuel ; Cardoso, Sandra M. ; Chaves, Sílvia; Santos, M. AméliaarticleopenAccess
2017Properties of halogenated and sulfonated porphyrins relevant for the selection of photosensitizers in anticancer and antimicrobial therapiesPucelik, Barbara; Paczyński, Robert; Dubin, Grzegorz; Pereira, Mariette M. ; Arnaut, Luís G. ; Dąbrowski, Janusz M. articleopenAccess
11-Apr-2021Recent Developments in New Therapeutic Agents against Alzheimer and Parkinson Diseases: In-Silico ApproachesCruz-Vicente, Pedro; Passarinha, Luís A.; Silvestre, Samuel Martins ; Gallardo, Eugenia articleopenAccess
8-Aug-2021Response of Osteosarcoma Cell Metabolism to Platinum and Palladium Chelates as Potential New DrugsMartins, Ana S. ; Batista de Carvalho, Ana L. M. ; Marques, Maria Paula M. ; Gil, Ana MarticleopenAccess
5-Jul-2021Synthesis and structure-activity relationships of new chiral spiro-β-lactams highly active against HIV-1 and PlasmodiumAlves, Nuno Guerreiro ; Bártolo, Inês; Alves, Américo J. S. ; Fontinha, Diana; Francisco, Denise; Lopes, Susana M. M.; Soares, Maria I. L. ; Simões, Carlos J. V. ; Prudêncio, Miguel ; Taveira, Nuno; Pinho e Melo, Teresa M. V. D. articleembargoedAccess
2-Mar-2021Synthesis of Computationally Designed 2,5(6)-Benzimidazole Derivatives via Pd-Catalyzed Reactions for Potential E. coli DNA Gyrase B InhibitionAroso, Rafael T. ; Guedes, Rita C. ; Pereira, Mariette M. articleopenAccess
Results 1 to 18 of 18