Articles with public access mandates - Diogo Vila ViçosaLearn more
Not available anywhere: 12
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
Mandates: Fundação para a Ciência e a Tecnologia, Portugal
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
Mandates: Fundação para a Ciência e a Tecnologia, Portugal
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
Mandates: Fundação para a Ciência e a Tecnologia, Portugal
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
Mandates: Fundação para a Ciência e a Tecnologia, Portugal
Biomolecular simulations of halogen bonds with a GROMOS force field
R Nunes, D Vila-Viçosa, M Machuqueiro, PJ Costa
Journal of Chemical Theory and Computation, 2018
Mandates: Fundação para a Ciência e a Tecnologia, Portugal
A pH replica exchange scheme in the stochastic titration constant-pH MD method
D Vila-Viçosa, PBPS Reis, AM Baptista, C Oostenbrink, M Machuqueiro
Journal of chemical theory and computation 15 (5), 3108-3116, 2019
Mandates: Fundação para a Ciência e a Tecnologia, Portugal
A mild multi-component reaction for the synthesis of 4, 5-disubstituted 1H-1, 2, 3-Triazoles from phosphonium salts, aldehydes, and sodium azide
GL Wu, QP Wu
Synthesis 50 (14), 2768-2774, 2018
Mandates: National Natural Science Foundation of China
A tale of two tails: The importance of unstructured termini in the aggregation pathway of β2‐microglobulin
RJS Loureiro, D Vila‐Viçosa, M Machuqueiro, EI Shakhnovich, ...
Proteins: Structure, Function, and Bioinformatics 85 (11), 2045-2057, 2017
Mandates: Fundação para a Ciência e a Tecnologia, Portugal
Improved protocol to tackle the pH effects on membrane-inserting peptides
TFD Silva, D Vila-Vicosa, M Machuqueiro
Journal of chemical theory and computation 17 (7), 3830-3840, 2021
Mandates: Fundação para a Ciência e a Tecnologia, Portugal
Violet-blue emitting 2-(N-alkylimino) pyrrolyl organoboranes: Synthesis, structure and luminescent properties
P Krishnamoorthy, B Ferreira, CSB Gomes, D Vila-Vicosa, A Charas, ...
Dyes and Pigments 140, 520-532, 2017
Mandates: Fundação para a Ciência e a Tecnologia, Portugal
New luminescent tetracoordinate boron complexes: an in-depth experimental and theoretical characterisation and their application in OLEDs
K Paramasivam, CB Fialho, TFC Cruz, AI Rodrigues, B Ferreira, ...
Inorganic Chemistry Frontiers 8 (17), 3960-3983, 2021
Mandates: Fundação para a Ciência e a Tecnologia, Portugal
Identification of Pan-Assay INterference compoundS (PAINS) using an MD-based protocol
PR Magalhães, PBPS Reis, D Vila-Viçosa, M Machuqueiro, BL Victor
Computational Design of Membrane Proteins, 263-271, 2021
Mandates: Fundação para a Ciência e a Tecnologia, Portugal
Available somewhere: 23
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
Mandates: Fundação para a Ciência e a Tecnologia, Portugal
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
Mandates: Fundação para a Ciência e a Tecnologia, Portugal
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
Mandates: Fundação para a Ciência e a Tecnologia, Portugal
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
Mandates: Fundação para a Ciência e a Tecnologia, Portugal
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
Mandates: Fundação para a Ciência e a Tecnologia, Portugal
Sugar-based bactericides targeting phosphatidylethanolamine-enriched membranes
C Dias, JP Pais, R Nunes, MT Blázquez-Sánchez, JT Marquês, ...
Nature Communications 9 (1), 4857, 2018
Mandates: Fundação para a Ciência e a Tecnologia, Portugal
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
Mandates: Fundação para a Ciência e a Tecnologia, Portugal
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
Mandates: Fundação para a Ciência e a Tecnologia, Portugal
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