Selected Publications
Below is a selection of my publications, listed by date and updated on the 31/December/2019.
2019-2020| 2017-2018| 2015-2016| 2013-2014| 2011-2012| 2009-2010| 2007-2008| 2005-2006| 2003-2004| 2000-2002|Publications 2019-2020
Medina, FE; Ramos, MJ; Fernandes, PA
Complexities of the Reaction Mechanisms of CC Double Bond Reduction in Mammalian Fatty Acid Synthase Studied with Quantum Mechanics/Molecular Mechanics Calculations
ACS CATALYSIS, 9: 11404-11412, 2019
DOI: 10.1021/acscatal.9b03531
Almada, M; Oliveira, A; Amaral, C; Fernandes, PA; Ramos, MJ; Fonseca, B; Correia-da-Silva, G; Teixeira, N
Anandamide targets aromatase: A breakthrough on human decidualization
BIOCHIMICA ET BIOPHYSICA ACTA-MOLECULAR AND CELL BIOLOGY OF LIPIDS, 1864, UNSP 158512, 2019
DOI: 10.1016/j.bbalip.2019.08.008
Calixto, AR; Ramos, MJ; Fernandes, PA
Conformational diversity induces nanosecond-timescale chemical disorder in the HIV-1 protease reaction pathway
CHEMICAL SCIENCE,10: 7212-7221, 2019
DOI: 10.1039/c9sc01464k
Ferreira, P; Cerqueira, NMFSA; Coelho, C; Fernandes, PA; Romao, MJ; Ramos, MJ
New insights about the monomer and homodimer structures of the human AOX1
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 21: 13545-13554, 2019
DOI: 10.1039/c9cp01040h
Ong, HC; Hu, Z; Coimbra, JTS; Ramos, MJ; Kon, OL; Xing, BG; Yeow, EKL; Fernandes, PA; Garcia, F
Enabling Mitochondrial Uptake of Lipophilic Dications Using Methylated Triphenylphosphonium Moieties
INORGANIC CHEMISTRY, 58: 8293-8299, 2019
DOI: 10.1021/acs.inorgchem.8b03380
Moreira, CDD; Ramos, MJRN; Fernandes, PMAA
Glutamine synthetase structure-catalysis relationship-Recent advances and applications
WILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE, 9, e1399, 2019
DOI: 10.1002/wcms.1399
Sousa, CF; Coimbra, JT; Ramos, MJ; Fernandes, PA; Gameiro, P
Combining theoretical and experimental approaches to understand the mechanism of antibiotic permeation: implications on the fight against bacterial resistance
EUROPEAN BIOPHYSICS JOURNAL WITH BIOPHYSICS LETTERS, 48, S64-S64, 2019
Listyarini, RV; Gesto, DS; Paiva, P; Ramos, MJ; Fernandes, PA
Benchmark of Density Functionals for the Calculation of the Redox Potential of Fe3+/Fe2+ Within Protein Coordination Shells
FRONTIERS IN CHEMISTRY, 7, 391, 2019
DOI: 10.3389/fchem.2019.00391
Coimbra, JTS; Bras, NF; Fernandes, PA; Rangel, M; Ramos, MJ
A computational study on the redox properties and binding affinities of iron complexes of hydroxypyridinones
JOURNAL OF MOLECULAR MODELING, 25: 6 Article Number: 172, 2019
DOI: 10.1007/s00894-019-4037-0 Published: JUN 2019
Dalla Torre, G; Mujika, JI; Lachowicz, JI; Ramos, MJ; Lopez, X
The interaction of aluminum with catecholamine-based neurotransmitters: can the formation of these species be considered a potential risk factor for neurodegenerative diseases?
DALTON TRANSACTIONS, 48: 6003-6018, 2019
DOI: 10.1039/c8dt04216k
Sousa, SF; Neves, RPP; Waheed, SO; Fernandes, PA; Ramos, MJ
Structural and mechanistic aspects of S-S bonds in the thioredoxin-like family of proteins
BIOLOGICAL CHEMISTRY, 400: 575-587, 2019
DOI: 10.1515/hsz-2018-0319
Wilson, KA; Fernandes, PA; Ramos, MJ; Wetmore, SD
Exploring the Identity of the General Base for a DNA Polymerase Catalyzed Reaction Using QM/MM: The Case Study of Human Translesion Synthesis Polymerase eta
ACS CATALYSIS, 9: 2543-2551, 2019
DOI: 10.1021/acscatal.8b04889
Puzzarini, C; de Lara-Castells, MP; Ramos, MJ
Challenges in spectroscopy: accuracy versus interpretation from isolated molecules to condensed phases
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 21: 3395-3396, 2019
DOI: 10.1039/c9cp90025j
Gameiro, P; Sousa, CF; Coimbra, JTS; Fernandes, PA; Ramos, MJ
Drug Permeation Across the Bacterial Membrane: Combining Theoretical and Experimental Approaches
BIOPHYSICAL JOURNAL, 1022-Pos Volume: 116: 206A-206A, 2019
DOI: 10.1016/j.bpj.2018.11.1138
Proenca, C; Freitas, M; Ribeiro, D; Tome, SM; Oliveira, EFT; Viegas, MF; Araujo, AN; Ramos, MJ; Silva, AMS; Fernandes, PA; Fernandes, E
Evaluation of a flavonoids library for inhibition of pancreatic alpha-amylase towards a structure-activity relationship
JOURNAL OF ENZYME INHIBITION AND MEDICINAL CHEMISTRY, 34: 577-588, 2019
DOI: 10.1080/14756366.2018.1558221