Thermally activated charge transport in microbial protein nanowires S Lampa-Pastirk, JP Veazey, KA Walsh, GT Feliciano, RJ Steidl, ... Scientific reports 6 (1), 23517, 2016 | 120 | 2016 |
Structural and functional insights into the conductive pili of Geobacter sulfurreducens revealed in molecular dynamics simulations GT Feliciano, RJ Steidl, G Reguera Physical Chemistry Chemical Physics 17 (34), 22217-22226, 2015 | 102 | 2015 |
Molecular and Electronic Structure of the Peptide Subunit of Geobacter sulfurreducens Conductive Pili from First Principles GT Feliciano, AJR da Silva, G Reguera, E Artacho The Journal of Physical Chemistry A 116 (30), 8023-8030, 2012 | 84 | 2012 |
Capacitive DNA detection driven by electronic charge fluctuations in a graphene nanopore GT Feliciano, C Sanz-Navarro, MD Coutinho-Neto, P Ordejón, ... Physical Review Applied 3 (3), 034003, 2015 | 69 | 2015 |
Capacitance spectroscopy and density functional theory PR Bueno, GT Feliciano, JJ Davis Physical Chemistry Chemical Physics 17 (14), 9375-9382, 2015 | 55 | 2015 |
Theoretical assessment of feasibility to sequence DNA through interlayer electronic tunneling transport at aligned nanopores in bilayer graphene J Prasongkit, GT Feliciano, AR Rocha, Y He, T Osotchan, R Ahuja, ... Scientific reports 5 (1), 17560, 2015 | 53 | 2015 |
Semi-empirical quantum chemistry method for pre-polymerization rational design of ciprofloxacin imprinted polymer and adsorption studies LD Marestoni, A Wong, GT Feliciano, MRR Marchi, CRT Tarley, ... Journal of the Brazilian Chemical Society 27 (1), 109-118, 2016 | 37 | 2016 |
Mapping the ionic fingerprints of molecular monolayers J Lehr, JR Weeks, A Santos, GT Feliciano, MIG Nicholson, JJ Davis, ... Physical Chemistry Chemical Physics 19 (23), 15098-15109, 2017 | 27 | 2017 |
The role of water on the electronic transport in graphene nanogap devices designed for DNA sequencing E de Freitas Martins, RG Amorim, GT Feliciano, RH Scheicher, AR Rocha Carbon 158, 314-319, 2020 | 21 | 2020 |
Addressing the Environment Electrostatic Effect on Ballistic Electron Transport in Large Systems: A QM/MM-NEGF Approach GT Feliciano, C Sanz-Navarro, MD Coutinho-Neto, P Ordejón, ... The Journal of Physical Chemistry B 122 (2), 485-492, 2017 | 21 | 2017 |
Effect of dimerization on the mechanism of action of aurein 1.2 EN Lorenzón, KA Riske, GF Troiano, GCA Da Hora, TA Soares, EM Cilli Biochimica et Biophysica Acta (BBA)-Biomembranes 1858 (6), 1129-1138, 2016 | 21 | 2016 |
Unravelling the reaction mechanism of matrix metalloproteinase 3 using QM/MM calculations GT Feliciano, AJR da Silva Journal of Molecular Structure 1091, 125-132, 2015 | 16 | 2015 |
Optical and electronic properties of TiO2/GOQDs composites: A combined experimental and first-principles calculations study VR Jauja-Ccana, AVC Huamán, GT Feliciano, ALRT Gómez Computational Materials Science 195, 110503, 2021 | 15 | 2021 |
Exploring coupled redox and pH processes with a force-field-based approach: applications to five different systems VWD Cruzeiro, GT Feliciano, AE Roitberg Journal of the American Chemical Society 142 (8), 3823-3835, 2020 | 15 | 2020 |
Experimental and theoretical studies of volatile corrosion inhibitors adsorption on zinc electrode DA Teixeira, MAG Valente Jr, AV Benedetti, GT Feliciano, SC Silva, ... Journal of the Brazilian Chemical Society 26 (3), 434-450, 2015 | 14 | 2015 |
Three-dimensional catalysis and the efficient bioelectrocatalysis beyond surface chemistry LJA Macedo, AAE Santo, GC Sedenho, A Hassan, RM Iost, GT Feliciano, ... Journal of Catalysis 401, 200-205, 2021 | 12 | 2021 |
Molecular dynamics investigation of the structural and energetic properties of CeO 2–MO x (M= Gd, La, Ce, Zr) nanoparticles JPA De Mendonca, TC Lourenço, LPM Freitas, AAE Santo, GT Feliciano, ... Materials Advances 2 (23), 7759-7772, 2021 | 11 | 2021 |
Ab Initio QM/MM Simulation of Ferrocene Homogeneous Electron-Transfer Reaction MIG Nicholson, PR Bueno, GT Feliciano The Journal of Physical Chemistry A 125 (1), 25-33, 2020 | 11 | 2020 |
Atomic and Electronic Structure of Pilus from Geobacter sulfurreducens through QM/MM Calculations: Evidence for Hole Transfer in Aromatic Residues LP Mezzina Freitas, GT Feliciano The Journal of Physical Chemistry B 125 (30), 8305-8312, 2021 | 10 | 2021 |
Caprylate salts based on amines as volatile corrosion inhibitors for metallic zinc: theoretical and experimental studies MAG Valente Jr, DA Teixeira, DL Azevedo, GT Feliciano, AV Benedetti, ... Frontiers in Chemistry 5, 32, 2017 | 10 | 2017 |