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Guilherme Colherinhas
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Year
Molecular Dynamics Study of Surfactant-Like Peptide Based Nanostructures
G Colherinhas, E Fileti
The Journal of Physical Chemistry B 118 (42), 12215-12222, 2014
552014
The band gap of graphene is efficiently tuned by monovalent ions
G Colherinhas, EE Fileti, VV Chaban
The journal of physical chemistry letters 6 (2), 302-307, 2015
542015
Storing Energy in Biodegradable Electrochemical Supercapacitors
G Colherinhas, T Malaspina, EE Fileti
ACS omega 3 (10), 13869-13875, 2018
532018
Theoretical analysis of the hydration of C 60 in normal and supercritical conditions
G Colherinhas, TL Fonseca, EE Fileti
Carbon 49 (1), 187-192, 2011
332011
Molecular Description of Surfactant-like Peptide Based Membranes
G Colherinhas, E Fileti
The Journal of Physical Chemistry C 118 (18), 9598-9603, 2014
312014
Can inorganic salts tune electronic properties of graphene quantum dots?
G Colherinhas, EE Fileti, VV Chaban
Physical Chemistry Chemical Physics 17 (26), 17413-17420, 2015
302015
Elucidating the stability of bolaamphiphilic polypeptide nanosheets using atomistic molecular dynamics
T Malaspina, EE Fileti, G Colherinhas
Physical Chemistry Chemical Physics, 2017
272017
Assessing the interaction between surfactant-like peptides and lipid membranes
T Malaspina, G Colherinhas, F de Oliveira Outi, EE Fileti
RSC Advances 7 (57), 35973-35981, 2017
242017
A6H Polypeptide Membranes: Molecular Dynamic Simulation, GIAO-DFT-NMR and TD-DFT Spectroscopy Analysis.
DA Xavier, G Colherinhas
Journal of Molecular Liquids, 2020
232020
Isotropic magnetic shielding constants of retinal derivatives in aprotic and protic solvents
G Colherinhas, TL Fonseca, MA Castro, K Coutinho, S Canuto
The Journal of Chemical Physics 139 (9), 2013
232013
Spectroscopic properties of vitamin E models in solution
LBA Oliveira, G Colherinhas, TL Fonseca, MA Castro
Chemical Physics Letters 628, 49-53, 2015
222015
Predicting the properties of a new class of host–guest complexes: C 60 fullerene and CB [9] cucurbituril
E Fileti, G Colherinhas, T Malaspina
Physical Chemistry Chemical Physics 16 (41), 22823-22829, 2014
222014
Elucidating NH2-I3V3A3G3K3-COOH and NH2-K3G3A3V3I3-COOH polypeptide membranes: A classical molecular dynamics study
D Andrade, LBA Oliveira, G Colherinhas
Journal of Molecular Liquids, 2019
212019
Can CHARMM36 atomic charges described correctly the interaction between amino acid and water molecules by molecular dynamics simulations?
LBA Oliveira, G Colherinhas
Journal of Molecular Liquids, 2020
202020
Investigating the asymmetry in the EDL response of C60/graphene supercapacitors
EE Fileti, G Colherinhas
Physical Chemistry Chemical Physics, 2019
192019
Assessing the DOPC-cholesterol interactions and their influence on fullerene C60 partitioning in lipid bilayers
ED Alves, G Colherinhas, SA Mendanha
Journal of Molecular Liquids, 2020
182020
Understanding the Stability of Polypeptide Membranes in Ionic Liquid: A Theoretical Molecular Dynamics Study
ED Alves, LBA Oliveira, G Colherinhas
New Journal of Chemistry, 2019
182019
Stability and Structural Analysis of A6R Polypeptide Nanosheets: A Theoretical Study Using the Classical Molecular Dynamics Simulation
B Proença, LBA Oliveira, G Colherinhas
The Journal of Physical Chemistry C 122 (42), 24445-24453, 2018
182018
Isomerization effects on chemical shifts and spin‐spin coupling constants of polyacetylene chains: A GIAO‐DFT study
G Colherinhas, TL Fonseca, HC Georg, MA Castro
International Journal of Quantum Chemistry 111 (7‐8), 1616-1625, 2011
182011
Updating atomic charges parameters of aliphatic amino acids: A quest to improve the performance of molecular modeling via sequential molecular dynamics and DFT-GIAO-NMR …
G Colherinhas
Physical Chemistry Chemical Physics 23, https://doi.org/10.1039/D1CP00183C, 2021
162021
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Articles 1–20