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Diogo Vila Viçosa
Diogo Vila Viçosa
Data Scientist, Schréder Hyperion
Bestätigte E-Mail-Adresse bei schreder.com
Titel
Zitiert von
Zitiert von
Jahr
Dinuclear Zinc–N‐Heterocyclic Carbene Complexes for Either the Controlled Ring‐Opening Polymerization of Lactide or the Controlled Degradation of Polylactide Under Mild Conditions
C Fliedel, D Vila‐Viçosa, MJ Calhorda, S Dagorne, T Avilés
ChemCatChem 6 (5), 1357-1367, 2014
1192014
pKa Values of Titrable Amino Acids at the Water/Membrane Interface
VH Teixeira, D Vila-Viçosa, PBPS Reis, M Machuqueiro
Journal of Chemical Theory and Computation 12 (3), 930-934, 2016
702016
Targeting Type 2 Diabetes with C-Glucosyl Dihydrochalcones as Selective Sodium Glucose Co-Transporter 2 (SGLT2) Inhibitors: Synthesis and Biological Evaluation
AR Jesus, D Vila-Viçosa, M Machuqueiro, AP Marques, TM Dore, ...
Journal of medicinal chemistry 60 (2), 568-579, 2017
612017
Luminescent Di‐and Trinuclear Boron Complexes Based on Aromatic Iminopyrrolyl Spacer Ligands: Synthesis, Characterization, and Application in OLEDs
D Suresh, CSB Gomes, PS Lopes, CA Figueira, B Ferreira, PT Gomes, ...
Chemistry–A European Journal 21 (25), 9133-9149, 2015
532015
The impact of using single atomistic long-range cutoff schemes with the GROMOS 54A7 force field
TFD Silva, D Vila-Viçosa, PBPS Reis, BL Victor, M Diem, C Oostenbrink, ...
Journal of chemical theory and computation 14 (11), 5823-5833, 2018
512018
Recent Developments on N-Heterocyclic Carbene Supported Zinc Complexes: Synthesis and Use in Catalysis
S Dagorne
Synthesis 50 (18), 3662-3670, 2018
492018
Reversibility of prion misfolding: insights from constant-pH molecular dynamics simulations
D Vila-Vicosa, SRR Campos, AM Baptista, M Machuqueiro
The Journal of Physical Chemistry B 116 (30), 8812-8821, 2012
492012
Differential targeting of membrane lipid domains by caffeic acid and its ester derivatives
HAL Filipe, C Sousa, JT Marques, D Vila-Vicosa, A de Granada-Flor, ...
Free Radical Biology and Medicine 115, 232-245, 2018
462018
Constant-pH MD simulations of DMPA/DMPC lipid bilayers
HAF Santos, D Vila-Viçosa, VH Teixeira, AM Baptista, M Machuqueiro
Journal of Chemical Theory and Computation 11 (12), 5973-5979, 2015
462015
Sugar-based bactericides targeting phosphatidylethanolamine-enriched membranes
C Dias, JP Pais, R Nunes, MT Blázquez-Sánchez, JT Marquês, ...
Nature Communications 9 (1), 4857, 2018
412018
Boron complexes of aromatic ring fused iminopyrrolyl ligands: synthesis, structure, and luminescence properties
D Suresh, B Ferreira, PS Lopes, CSB Gomes, P Krishnamoorthy, ...
Dalton Transactions 45 (39), 15603-15620, 2016
412016
Halogen bonding: an underestimated player in membrane–ligand interactions
RS Nunes, D Vila-Viçosa, PJ Costa
Journal of the American Chemical Society 143 (11), 4253-4267, 2021
402021
Conformational study of GSH and GSSG using constant-pH molecular dynamics simulations
D Vila-Vicosa, VH Teixeira, HAF Santos, M Machuqueiro
The Journal of Physical Chemistry B 117 (25), 7507-7517, 2013
392013
Halogen bonding in halocarbon-protein complexes and computational tools for rational drug design
PJ Costa, R Nunes, D Vila-Viçosa
Expert Opinion on Drug Discovery 14 (8), 805-820, 2019
382019
PypKa: A Flexible Python Module for Poisson–Boltzmann-Based pKa Calculations
PBPS Reis, D Vila-Vicosa, W Rocchia, M Machuqueiro
Journal of chemical information and modeling 60 (10), 4442-4448, 2020
372020
Membrane-Induced pKa Shifts in wt-pHLIP and Its L16H Variant
D Vila-Viçosa, TFD Silva, G Slaybaugh, YK Reshetnyak, OA Andreev, ...
Journal of chemical theory and computation 14 (6), 3289-3297, 2018
372018
A Simulated Intermediate State for Folding and Aggregation Provides Insights into ΔN6 β2-Microglobulin Amyloidogenic Behavior
SG Estácio, H Krobath, D Vila-Viçosa, M Machuqueiro, EI Shakhnovich, ...
PLoS computational biology 10 (5), e1003606, 2014
372014
Coordination-driven self-assembly of thiocyanate complexes of Co (II), Ni (II) and Cu (II) with picolinamide: a structural and DFT study
M Đaković, D Vila-Vicosa, MJ Calhorda, Z Popović
CrystEngComm 13 (19), 5863-5871, 2011
362011
Constant-pH MD simulations of an oleic acid bilayer
D Vila-Vicosa, VH Teixeira, AM Baptista, M Machuqueiro
Journal of Chemical Theory and Computation 11 (5), 2367-2376, 2015
352015
Protonation of dmpc in a bilayer environment using a linear response approximation
VH Teixeira, D Vila-Viçosa, AM Baptista, M Machuqueiro
Journal of Chemical Theory and Computation 10 (5), 2176-2184, 2014
352014
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