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

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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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Special Issue on “The Application of Quantum Mechanics in Reactivity of Molecules” von Sousa, Sérgio F.

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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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Activation Free Energy, Substrate Binding Free Energy, and Enzyme Efficiency Fall in a Very Narrow Range of Values for Most Enzymes von Sousa, Sérgio F, Calixto, Ana R, Ferreira, Pedro, Ramos, Maria J, Lim, Carmay, Fernandes, Pedro A

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Computational Studies Devoted to the Catalytic Mechanism of Threonine Aldolase, a Critical Enzyme in the Pharmaceutical Industry to Synthesize β‑Hydroxy-α-amino Acids von Rocha, Juliana F, Sousa, Sérgio F, Cerqueira, Nuno M. F. Sousa A

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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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Receptor-Based Virtual Screening of Large Libraries in a Multi-Level In Silico Approach von Vieira, Tatiana F., Sousa, Sérgio F.

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The critical role of Asp206 stabilizing residues on the catalytic mechanism of the Ideonella sakaiensis PETase von Magalhães, Rita P., Fernandes, Henrique S., Sousa, Sérgio F.

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The Application of Quantum Mechanics in Reactivity of Molecules

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Identification of tripeptides against tyrosine kinase domain of EGFR for lung cancer cell inhibition by in silico and in vitro studies von Kiriwan, Duangnapa, Seetaha, Supaphorn, Jiwacharoenchai, Nattanan, Tabtimmai, Lueacha, Sousa, Sérgio F., Songtawee, Napat, Choowongkomon, Kiattawee

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Understanding the Catalytic Machinery and the Reaction Pathway of the Malonyl-Acetyl Transferase Domain of Human Fatty Acid Synthase von Paiva, Pedro, Sousa, Sérgio F, Ramos, Maria J, Fernandes, Pedro A

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Formation of Unstable and very Reactive Chemical Species Catalyzed by Metalloenzymes: A Mechanistic Overview von Fernandes, Henrique S, Teixeira, Carla S Silva, Sousa, Sérgio F, Cerqueira, Nuno M F S A

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Relationship between Enzyme/Substrate Properties and Enzyme Efficiency in Hydrolases von Sousa, Sérgio F, Ramos, Maria J, Lim, Carmay, Fernandes, Pedro A

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Mechanistic Studies of a Flavin Monooxygenase: Sulfur Oxidation of Dibenzothiophenes by DszC von Barbosa, Ana C. C, Neves, Rui P. P, Sousa, Sérgio F, Ramos, Maria J, Fernandes, Pedro A

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Correction: Exploiting Locusta migratoria as a source of bioactive peptides with anti-fibrosis properties using an in silico approach von Teixeira, Carla S S, Biltes, Rita, Villa, Caterina, Sousa, Sérgio F, Costa, Joana, Ferreira, Isabel M P L V O, Mafra, Isabel

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Solving the Catalytic Mechanism of Tryptophan Synthase: an Emergent Drug Target in the Treatment of Tuberculosis von Teixeira, Carla S. Silva, Ramos, Maria J., Sousa, Sérgio F., Cerqueira, Nuno M. F. S. A.

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