Maria João Ramos (M J Ramos, Maria J Ramos)

Scopus Author ID AuthID ResearcherID Ciência ID ORCID

Publication Activity (10 Years)

Years Active: 2016-2024
Publications (10 Years): 51

Top Topics

Particulate Matter

Crystal Structure

Molecular Dynamics

Top Venues

Journal of chemical information and modeling

Nature reviews. Chemistry

Chemistry (Weinheim an der Bergstrasse, Germany)

The journal of physical chemistry. B

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

Publications

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)
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)
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)
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)
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)
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)
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)
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 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)
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 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)
Alessandro Berselli, Maria João Ramos, Maria Cristina Menziani
Novel Pet-Degrading Enzymes: Structure-Function from a Computational Perspective. Chembiochem : a European journal of chemical biology 22 (12) (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)
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)
How Chee Ong, Zhang Hu, João T S Coimbra, Maria João Ramos, Oi Lian Kon, Bengang Xing, Edwin Kok Lee Yeow, Pedro A Fernandes, Felipe Garcia
Enabling Mitochondrial Uptake of Lipophilic Dications Using Methylated Triphenylphosphonium Moieties. Inorganic chemistry 58 (13) (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)
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)
Natércia F Brás, Diogo Santos-Martins, Pedro A Fernandes, Maria João Ramos
Mechanistic Pathway on Human α-Glucosidase Maltase-Glucoamylase Unveiled by QM/MM Calculations. The journal of physical chemistry. B 122 (14) (2018)
Pedro Ferreira, Nuno M F S A Cerqueira, Natércia F Brás, Pedro A Fernandes, Maria João Ramos
Parametrization of Molybdenum Cofactors for the AMBER Force Field. Journal of chemical theory and computation 14 (5) (2018)
Matilde F Viegas, Rui P P Neves, Maria João Ramos, Pedro A Fernandes
Modeling of Human Fatty Acid Synthase and in Silico Docking of Acyl Carrier Protein Domain and Its Partner Catalytic Domains. The journal of physical chemistry. B 122 (1) (2018)
Ana Rita Calixto, Maria João Ramos, Pedro A Fernandes
Influence of Frozen Residues on the Exploration of the PES of Enzyme Reaction Mechanisms. Journal of chemical theory and computation 13 (11) (2017)
Henrique Silva Fernandes, Maria João Ramos, Nuno M F S A Cerqueira
The Catalytic Mechanism of the Pyridoxal-5'-phosphate-Dependent Enzyme, Histidine Decarboxylase: A Computational Study. Chemistry (Weinheim an der Bergstrasse, Germany) 23 (38) (2017)
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)