Pedro Alexandrino Fernandes (Pedro A Fernandes, P A Fernandes)

Scopus Author ID Ciência ID ORCID

Publication Activity (10 Years)

Years Active: 2016-2024
Publications (10 Years): 66

Top Topics

Molecular Dynamics

Top Venues

Journal of chemical information and modeling

Nature reviews. Chemistry

Pharmaceuticals (Basel, Switzerland)

This page only lists publications with an associated author ORCID identifier.

Publications

Ana L Novo de Oliveira, Miguel T Lacerda, Maria J Ramos, Pedro Alexandrino Fernandes
Correction: de Oliveira et al. Viper Venom Phospholipase A2 Database: The Structural and Functional Anatomy of a Primary Toxin in Envenomation. Toxins 2024, 16 , 71. Toxins 16 (6) (2024)
Pedro Ferreira, Rui P P Neves, Filipa P Miranda, Ana V Cunha, Remco W A Havenith, Maria João Ramos, Pedro Alexandrino Fernandes
DszA Catalyzes C-S Bond Cleavage through N 5 -Hydroperoxyl Formation. Journal of chemical information and modeling (2024)
Ana L Novo de Oliveira, Miguel T Lacerda, Maria J Ramos, Pedro Alexandrino Fernandes
Viper Venom Phospholipase A2 Database: The Structural and Functional Anatomy of a Primary Toxin in Envenomation. Toxins 16 (2) (2024)
Pedro Ferreira, Rui P P Neves, Filipa P Miranda, Ana V Cunha, Remco W A Havenith, Maria João Ramos, Pedro Alexandrino Fernandes
DszA Catalyzes C-S Bond Cleavage through N 5 -Hydroperoxyl Formation. Journal of chemical information and modeling 64 (10) (2024)
Carlos F M Silva, Diana C G A Pinto, Pedro Alexandrino Fernandes, Carlos F M Silva
Evolution of the Quinoline Scaffold for the Treatment of Leishmaniasis: A Structural Perspective. Pharmaceuticals (Basel, Switzerland) 17 (3) (2024)
Carlos F M Silva, Diana C G A Pinto, Pedro Alexandrino Fernandes, Carlos F M Silva
Evolution of the Quinoline Scaffold for the Treatment of Leishmaniasis: A Structural Perspective. Pharmaceuticals (Basel, Switzerland) 17 (3) (2024)
Ana L Novo de Oliveira, Miguel T Lacerda, Maria J Ramos, Pedro Alexandrino Fernandes
Viper Venom Phospholipase A2 Database: The Structural and Functional Anatomy of a Primary Toxin in Envenomation. Toxins 16 (2) (2024)
Ana L Novo de Oliveira, Miguel T Lacerda, Maria J Ramos, Pedro Alexandrino Fernandes
Viper Venom Phospholipase A2 Database: The Structural and Functional Anatomy of a Primary Toxin in Envenomation. Toxins 16 (2) (2024)
Alexandre V Pinto, Pedro Ferreira, Ana V Cunha, Remco W A Havenith, Alexandre L Magalhães, Maria João Ramos, Pedro Alexandrino Fernandes
Revisiting the reaction pathways for phospholipid hydrolysis catalyzed by phospholipase A2 with QM/MM methods. Chemical science 15 (25) (2024)
Ana L Novo de Oliveira, Miguel T Lacerda, Maria J Ramos, Pedro Alexandrino Fernandes
Viper Venom Phospholipase A2 Database: The Structural and Functional Anatomy of a Primary Toxin in Envenomation. Toxins 16 (2) (2024)
Ana L Novo de Oliveira, Miguel T Lacerda, Maria J Ramos, Pedro Alexandrino Fernandes
Correction: de Oliveira et al. Viper Venom Phospholipase A2 Database: The Structural and Functional Anatomy of a Primary Toxin in Envenomation. Toxins 2024, 16 , 71. Toxins 16 (6) (2024)
Pedro Ferreira, Rui P P Neves, Filipa P Miranda, Ana V Cunha, Remco W A Havenith, Maria João Ramos, Pedro Alexandrino Fernandes
DszA Catalyzes C-S Bond Cleavage through N 5 -Hydroperoxyl Formation. Journal of chemical information and modeling 64 (10) (2024)
Ana L Novo de Oliveira, Miguel T Lacerda, Maria J Ramos, Pedro Alexandrino Fernandes
Viper Venom Phospholipase A2 Database: The Structural and Functional Anatomy of a Primary Toxin in Envenomation. Toxins 16 (2) (2024)
Pedro Ferreira, Rui P P Neves, Filipa P Miranda, Ana V Cunha, Remco W A Havenith, Maria João Ramos, Pedro Alexandrino Fernandes
DszA Catalyzes C-S Bond Cleavage through N 5 -Hydroperoxyl Formation. Journal of chemical information and modeling 64 (10) (2024)
Alexandre V Pinto, Pedro Ferreira, Ana V Cunha, Remco W A Havenith, Alexandre L Magalhães, Maria João Ramos, Pedro Alexandrino Fernandes
Revisiting the reaction pathways for phospholipid hydrolysis catalyzed by phospholipase A2 with QM/MM methods. Chemical science 15 (25) (2024)
Carlos F M Silva, Diana C G A Pinto, Pedro Alexandrino Fernandes, Carlos F M Silva
Evolution of the Quinoline Scaffold for the Treatment of Leishmaniasis: A Structural Perspective. Pharmaceuticals (Basel, Switzerland) 17 (3) (2024)
Pedro Ferreira, Rui P P Neves, Filipa P Miranda, Ana V Cunha, Remco W A Havenith, Maria João Ramos, Pedro Alexandrino Fernandes
DszA Catalyzes C-S Bond Cleavage through N 5 -Hydroperoxyl Formation. Journal of chemical information and modeling 64 (10) (2024)
João P M De Sousa, Maria João Ramos, Pedro Alexandrino Fernandes
QM/MM Study of the Reaction Mechanism of L-Tyrosine Hydroxylation Catalyzed by the Enzyme CYP76AD1. The journal of physical chemistry. B (2024)
João P M De Sousa, Nuno C S A Oliveira, Pedro Alexandrino Fernandes
Rational Engineering of ( S )-Norcoclaurine Synthase for Efficient Benzylisoquinoline Alkaloids Biosynthesis. Molecules (Basel, Switzerland) 28 (11) (2023)
Carlos F M Silva, Teresa Leão, Filipa Dias, Ana M Tomás, Diana C G A Pinto, Eduardo F T Oliveira, Ana L Novo de Oliveira, Pedro Alexandrino Fernandes, Carlos F M Silva
Structure-Activity Relationship Studies of 9-Alkylamino-1,2,3,4-tetrahydroacridines against Leishmania ( Leishmania ) infantum Promastigotes. Pharmaceutics 15 (2) (2023)
Carlos F M Silva, Teresa Leão, Filipa Dias, Ana M Tomás, Diana C G A Pinto, Eduardo F T Oliveira, Ana L Novo de Oliveira, Pedro Alexandrino Fernandes, Carlos F M Silva
Structure-Activity Relationship Studies of 9-Alkylamino-1,2,3,4-tetrahydroacridines against Leishmania ( Leishmania ) infantum Promastigotes. Pharmaceutics 15 (2) (2023)
Carlos F M Silva, Teresa Leão, Filipa Dias, Ana M Tomás, Diana C G A Pinto, Eduardo F T Oliveira, Ana L Novo de Oliveira, Pedro Alexandrino Fernandes, Carlos F M Silva
Structure-Activity Relationship Studies of 9-Alkylamino-1,2,3,4-tetrahydroacridines against Leishmania ( Leishmania ) infantum Promastigotes. Pharmaceutics 15 (2) (2023)
Juliana Castro-Amorim, Ana Novo de Oliveira, Saulo Luís Da Silva, Andreimar M Soares, Ashis Kumar Mukherjee, Maria João Ramos, Pedro Alexandrino Fernandes
Catalytically Active Snake Venom PLA 2 Enzymes: An Overview of Its Elusive Mechanisms of Reaction. Journal of medicinal chemistry (2023)
Juliana Castro-Amorim, Ana Oliveira, Ashis Kumar Mukherjee, Maria João Ramos, Pedro Alexandrino Fernandes
Unraveling the Reaction Mechanism of Russell's Viper Venom Factor X Activator: A Paradigm for the Reactivity of Zinc Metalloproteinases? Journal of chemical information and modeling (2023)
Juliana Castro-Amorim, Ana Oliveira, Ashis Kumar Mukherjee, Maria João Ramos, Pedro Alexandrino Fernandes
Unraveling the Reaction Mechanism of Russell's Viper Venom Factor X Activator: A Paradigm for the Reactivity of Zinc Metalloproteinases? Journal of chemical information and modeling (2023)
Juliana Castro-Amorim, Ana Oliveira, Ashis Kumar Mukherjee, Maria João Ramos, Pedro Alexandrino Fernandes
Unraveling the Reaction Mechanism of Russell's Viper Venom Factor X Activator: A Paradigm for the Reactivity of Zinc Metalloproteinases? Journal of chemical information and modeling (2023)
How Chee Ong, João T S Coimbra, Maria João Ramos, Bengang Xing, Pedro Alexandrino Fernandes, Felipe Garcia
Beyond the TPP + "gold standard": a new generation mitochondrial delivery vector based on extended PN frameworks. Chemical science 14 (15) (2023)
João T S Coimbra, Pedro Alexandrino Fernandes, Maria João Ramos
Deciphering the Catalytic Mechanism of Virginiamycin B Lyase with Multiscale Methods and Molecular Dynamics Simulations. Journal of chemical information and modeling (2023)
Rui P P Neves, Maria João Ramos, Pedro Alexandrino Fernandes
Engineering DszC Mutants from Transition State Macrodipole Considerations and Evolutionary Sequence Analysis. Journal of chemical information and modeling (2022)
Pedro Alexandrino Fernandes, Óscar Passos, Maria João Ramos
Necessity is the Mother of Invention: A Remote Molecular Bioinformatics Practical Course in the COVID-19 Era. Journal of chemical education 99 (5) (2022)
Rui P P Neves, Pedro Alexandrino Fernandes, Maria João Ramos
Role of Enzyme and Active Site Conformational Dynamics in the Catalysis by α-Amylase Explored with QM/MM Molecular Dynamics. Journal of chemical information and modeling 62 (15) (2022)
Rui P P Neves, Maria João Ramos, Pedro Alexandrino Fernandes
Engineering DszC Mutants from Transition State Macrodipole Considerations and Evolutionary Sequence Analysis. Journal of chemical information and modeling 63 (1) (2022)
Rui P P Neves, Maria João Ramos, Pedro Alexandrino Fernandes
Engineering DszC Mutants from Transition State Macrodipole Considerations and Evolutionary Sequence Analysis. Journal of chemical information and modeling 63 (1) (2022)
Rui P P Neves, Maria João Ramos, Pedro Alexandrino Fernandes
Engineering DszC Mutants from Transition State Macrodipole Considerations and Evolutionary Sequence Analysis. Journal of chemical information and modeling 63 (1) (2022)
Luís M C Teixeira, João T S Coimbra, Maria João Ramos, Pedro Alexandrino Fernandes
Transmembrane Protease Serine 2 Proteolytic Cleavage of the SARS-CoV-2 Spike Protein: A Mechanistic Quantum Mechanics/Molecular Mechanics Study to Inspire the Design of New Drugs To Fight the COVID-19 Pandemic. Journal of chemical information and modeling 62 (10) (2022)
Anna Cebrián-Prats, Alexandre V Pinto, Àngels González-Lafont, Pedro Alexandrino Fernandes, José M Lluch
The role of acetylated cyclooxygenase-2 in the biosynthesis of resolvin precursors derived from eicosapentaenoic acid. Organic & biomolecular chemistry 20 (6) (2022)
Ana L Novo de Oliveira, Matilde F Viegas, Saulo Luís Da Silva, Andreimar M Soares, Maria João Ramos, Pedro Alexandrino Fernandes
The chemistry of snake venom and its medicinal potential. Nature reviews. Chemistry 6 (7) (2022)
Ana L Novo de Oliveira, Matilde F Viegas, Saulo Luís Da Silva, Andreimar M Soares, Maria João Ramos, Pedro Alexandrino Fernandes
The chemistry of snake venom and its medicinal potential. Nature reviews. Chemistry 6 (7) (2022)
Rui P P Neves, Maria João Ramos, Pedro Alexandrino Fernandes
Engineering DszC Mutants from Transition State Macrodipole Considerations and Evolutionary Sequence Analysis. Journal of chemical information and modeling 63 (1) (2022)
Carlos F M Silva, Diana C G A Pinto, Pedro Alexandrino Fernandes, Carlos F M Silva
Evolution of Acridines and Xanthenes as a Core Structure for the Development of Antileishmanial Agents. Pharmaceuticals (Basel, Switzerland) 15 (2) (2022)
Matilde F Viegas, Rui P P Neves, Maria João Ramos, Pedro Alexandrino Fernandes
QM/MM Study of the Reaction Mechanism of Thermophilic Glucuronoyl Esterase for Biomass Treatment. Chemphyschem : a European journal of chemical physics and physical chemistry 23 (20) (2022)
Rui P P Neves, Ana V Cunha, Pedro Alexandrino Fernandes, Maria João Ramos
Towards the Accurate Thermodynamic Characterization of Enzyme Reaction Mechanisms. Chemphyschem : a European journal of chemical physics and physical chemistry 23 (13) (2022)
Ana L Novo de Oliveira, Matilde F Viegas, Saulo Luís Da Silva, Andreimar M Soares, Maria João Ramos, Pedro Alexandrino Fernandes
The chemistry of snake venom and its medicinal potential. Nature reviews. Chemistry 6 (7) (2022)
João P M De Sousa, Maria J Ramos, Pedro Alexandrino Fernandes
Modern Strategies for the Diversification of the Supply of Natural Compounds: The Case of Alkaloid Painkillers. Chembiochem : a European journal of chemical biology 23 (10) (2022)
João T S Coimbra, Rui P P Neves, Ana V Cunha, Maria João Ramos, Pedro Alexandrino Fernandes
Different Enzyme Conformations Induce Different Mechanistic Traits in HIV-1 Protease. Chemistry (Weinheim an der Bergstrasse, Germany) 28 (42) (2022)
Ana L Novo de Oliveira, Matilde F Viegas, Saulo Luís Da Silva, Andreimar M Soares, Maria João Ramos, Pedro Alexandrino Fernandes
The chemistry of snake venom and its medicinal potential. Nature reviews. Chemistry 6 (7) (2022)
Alexandre V Pinto, Pedro Ferreira, Pedro Alexandrino Fernandes, Alexandre L Magalhães, Maria João Ramos
Development of Nanoscale Graphene Oxide Models for the Adsorption of Biological Molecules. The journal of physical chemistry. B (2022)
Rui P P Neves, Maria João Ramos, Pedro Alexandrino Fernandes
Engineering DszC Mutants from Transition State Macrodipole Considerations and Evolutionary Sequence Analysis. Journal of chemical information and modeling 63 (1) (2022)
Carina Proença, Ana Teresa Rufino, José Miguel P Ferreira de Oliveira, Marisa Freitas, Pedro Alexandrino Fernandes, Carlos F M Silva, Eduarda Fernandes
Inhibitory activity of flavonoids against human sucrase-isomaltase (α-glucosidase) activity in a Caco-2/TC7 cellular model. Food & function 13 (3) (2022)
Ana L Novo de Oliveira, Matilde F Viegas, Saulo Luís Da Silva, Andreimar M Soares, Maria João Ramos, Pedro Alexandrino Fernandes
The chemistry of snake venom and its medicinal potential. Nature reviews. Chemistry 6 (7) (2022)
Upasana Puzari, Pedro Alexandrino Fernandes, Ashis Kumar Mukherjee
Advances in the Therapeutic Application of Small-Molecule Inhibitors and Repurposed Drugs against Snakebite. Journal of medicinal chemistry 64 (19) (2021)
João T S Coimbra, Ralph Feghali, Rui P Ribeiro, Maria João Ramos, Pedro Alexandrino Fernandes
The importance of intramolecular hydrogen bonds on the translocation of the small drug piracetam through a lipid bilayer. RSC advances 11 (2) (2021)
Pedro Paiva, Fabiola E Medina, Matilde F Viegas, Pedro Ferreira, Rui P P Neves, João P M De Sousa, Maria João Ramos, Pedro Alexandrino Fernandes
Animal Fatty Acid Synthase: A Chemical Nanofactory. Chemical reviews 121 (15) (2021)
How Chee Ong, João T S Coimbra, Germain Kwek, Maria João Ramos, Bengang Xing, Pedro Alexandrino Fernandes, Felipe Garcia
Alkyl vs. aryl modifications: a comparative study on modular modifications of triphenylphosphonium mitochondrial vectors. RSC chemical biology 2 (6) (2021)
Carina Proença, Ana Oliveira, Marisa Freitas, Daniela Ribeiro, Joana L C Sousa, Maria João Ramos, Carlos F M Silva, Pedro Alexandrino Fernandes, Eduarda Fernandes
Structural Specificity of Flavonoids in the Inhibition of Human Fructose 1,6-Bisphosphatase. Journal of natural products 83 (5) (2020)
Pedro Paiva, Maria João Ramos, Pedro Alexandrino Fernandes
Assessing the validity of DLPNO-CCSD(T) in the calculation of activation and reaction energies of ubiquitous enzymatic reactions. Journal of computational chemistry 41 (29) (2020)
Carlos F M Silva, Diana C G A Pinto, Pedro Alexandrino Fernandes, Carlos F M Silva
Evolution of chromone-like compounds as potential antileishmanial agents, through the 21st century. Expert opinion on drug discovery 15 (12) (2020)
Kenneth Goossens, Rui P P Neves, Pedro Alexandrino Fernandes, Hans De Winter
A Computational and Modeling Study of the Reaction Mechanism of Staphylococcus aureus Monoglycosyltransferase Reveals New Insights on the GT51 Family of Enzymes. Journal of chemical information and modeling 60 (11) (2020)
Carina Proença, Marisa Freitas, Daniela Ribeiro, Sara M Tomé, Eduardo F T Oliveira, Matilde F Viegas, Alberto N Araújo, Maria João Ramos, Carlos F M Silva, Pedro Alexandrino Fernandes, Eduarda Fernandes
Evaluation of a flavonoids library for inhibition of pancreatic α-amylase towards a structure-activity relationship. Journal of enzyme inhibition and medicinal chemistry 34 (1) (2019)
Pedro Ferreira, Nuno M F S A Cerqueira, C Coelho, Pedro Alexandrino Fernandes, M J Romão, Maria João Ramos
New insights about the monomer and homodimer structures of the human AOX1. Physical chemistry chemical physics : PCCP 21 (25) (2019)
Gonzalo A Jaña, Fernanda Mendoza, Manuel I Osorio, Joel B Alderete, Pedro Alexandrino Fernandes, Maria João Ramos, Verónica A Jiménez
A QM/MM approach on the structural and stereoelectronic factors governing glycosylation by GTF-SI from Streptococcus mutans. Organic & biomolecular chemistry 16 (14) (2019)
Ana Rita Calixto, Maria João Ramos, Pedro Alexandrino Fernandes
Conformational diversity induces nanosecond-timescale chemical disorder in the HIV-1 protease reaction pathway. Chemical science 10 (30) (2019)
Carina Proença, Marisa Freitas, Daniela Ribeiro, Sara M Tomé, Alberto N Araújo, Carlos F M Silva, Pedro Alexandrino Fernandes, Eduarda Fernandes
The dipeptidyl peptidase-4 inhibitory effect of flavonoids is hindered in protein rich environments. Food & function 10 (9) (2019)
Natércia F Brás, Pedro Alexandrino Fernandes, Maria João Ramos, Steven D Schwartz
Mechanistic Insights on Human Phosphoglucomutase Revealed by Transition Path Sampling and Molecular Dynamics Calculations. Chemistry (Weinheim an der Bergstrasse, Germany) 24 (8) (2018)
Rui P P Neves, Pedro Alexandrino Fernandes, Maria João Ramos
Mechanistic insights on the reduction of glutathione disulfide by protein disulfide isomerase. Proceedings of the National Academy of Sciences of the United States of America 114 (24) (2017)
Cátia Moreira, Maria João Ramos, Pedro Alexandrino Fernandes
Reaction Mechanism of Mycobacterium Tuberculosis Glutamine Synthetase Using Quantum Mechanics/Molecular Mechanics Calculations. Chemistry (Weinheim an der Bergstrasse, Germany) 22 (27) (2016)