The buzz on insecticides: a review of uses, molecular structures, targets, adverse effects, and alternatives von Araújo, Maria F., Castanheira, Elisabete M. S., Sousa, Sérgio F.

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Special Issue on "Enzymes as Biocatalysts: Current Research Trends and Applications" von Sousa, Sérgio F

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Reaction Mechanism and Determinants for Efficient Catalysis by DszB, a Key Enzyme for Crude Oil Bio-desulfurization von Sousa, João P. M, Neves, Rui P. P, Sousa, Sérgio F, Ramos, Maria J, Fernandes, Pedro A

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Machine Learning-Driven Discovery and Database of Cyanobacteria Bioactive Compounds: A Resource for Therapeutics and Bioremediation von Soares, Renato, Azevedo, Luísa, Vasconcelos, Vitor, Pratas, Diogo, Sousa, Sérgio F., Carneiro, João

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Comparing AutoDock and Vina in Ligand/Decoy Discrimination for Virtual Screening von Vieira, Tatiana F., Sousa, Sérgio F.

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Identification of New Potential Inhibitors of Quorum Sensing through a Specialized Multi-Level Computational Approach von Martins, Fábio G, Melo, André, Sousa, Sérgio F

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An Atomic-Level Perspective of HMG-CoA-Reductase: The Target Enzyme to Treat Hypercholesterolemia von Gesto, Diana S, Pereira, Carlos M S, Cerqueira, Nuno M F S, Sousa, Sérgio F

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Curcumin and 10-undecenoic acid as natural quorum sensing inhibitors of LuxS/AI-2 of Bacillus subtilis and LasI/LasR of Pseudomonas aeruginosa von Fernandes, Susana, Borges, Anabela, Gomes, Inês B., Sousa, Sérgio F., Simões, Manuel

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Non-B DNA conformations analysis through molecular dynamics simulations von Pina, André F., Sousa, Sérgio F., Azevedo, Luísa, Carneiro, João

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LC-ESI-UHR-QqTOF-MS/MS profiling and anti-inflammatory potential of the cultivated Opuntia ficus-indica (L.) Mill. and the wild Opuntia stricta (Haw.) Haw. fruits from the Algerian... von Zeghbib, Walid, Boudjouan, Fares, Carneiro, João, Oliveira, Ana L.S., Sousa, Sérgio F., Pintado, Manuela Estevez, Ourabah, Asma, Vasconcelos, Vitor, Lopes, Graciliana

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Modelling Enzymatic Mechanisms with QM/MM Approaches: Current Status and Future Challenges von Magalhães, Rita P., Fernandes, Henriques S., Sousa, Sérgio F.

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Receptor-based virtual screening protocol for drug discovery von Cerqueira, Nuno M.F.S.A., Gesto, Diana, Oliveira, Eduardo F., Santos-Martins, Diogo, Brás, Natércia F., Sousa, Sérgio F., Fernandes, Pedro A., Ramos, Maria J.

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Advances in structure-based drug design targeting membrane protein markers in prostate cancer von Batista-Silva, João P., Gomes, Diana, Sousa, Sérgio F., Sousa, Ângela, Passarinha, Luís A.

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The fungicide cymoxanil impairs respiration in Saccharomyces cerevisiae via cytochrome c oxidase inhibition von Mendes, Filipa, Santos‐Pereira, Cátia, Vieira, Tatiana F., Martins Pinto, Mélanie, Castro, Bruno B., Sousa, Sérgio F., Sousa, Maria João, Devin, Anne, Chaves, Susana R.

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New insights into the catalytic mechanism of the SARS-CoV-2 main protease: an ONIOM QM/MM approach von Fernandes, Henrique S., Sousa, Sérgio F., Cerqueira, Nuno M. F. S. A.

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In Silico Identification of Possible Inhibitors for Protein Kinase B (PknB) of Mycobacterium tuberculosis von Vieira, Tatiana F, Martins, Fábio G, Moreira, Joel P, Barbosa, Tiago, Sousa, Sérgio F

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Perspectives on the Role of Enzymatic Biocatalysis for the Degradation of Plastic PET von Magalhães, Rita P, Cunha, Jorge M, Sousa, Sérgio F

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Crystal structures of Streptomyces tsukubaensis sigma factor SigG1 and anti-sigma RsfG von Leite, José P., Lourenço, Frederico, Oliveira, Rute, Sousa, Sérgio F., Mendes, Marta V., Gales, Luís

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Current Status of the Use of Multifunctional Enzymes as Anti-Cancer Drug Targets von Teixeira, Carla S S, Sousa, Sérgio F

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Computational Alanine Scanning Mutagenesis: MM-PBSA vs TI von Martins, Sílvia A, Perez, Marta A. S, Moreira, Irina S, Sousa, Sérgio F, Ramos, M. J, Fernandes, P. A

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