Miguel Machuqueiro
Miguel Machuqueiro
BioISI, DQB, Faculdade de Ciências, Universidade de Lisboa
Verified email at - Homepage
Cited by
Cited by
The multi-factorial nature of clinical multidrug resistance in cancer
YG Assaraf, A Brozovic, AC Gonçalves, D Jurkovicova, A Linē, ...
Drug Resistance Updates 46, 100645, 2019
Improvement of conventional anti-cancer drugs as new tools against multidrug resistant tumors
S Dallavalle, V Dobričić, L Lazzarato, E Gazzano, M Machuqueiro, ...
Drug resistance updates 50, 100682, 2020
Zn-proline catalyzed direct aldol reaction in aqueous media
T Darbre, M Machuqueiro
Chemical communications, 1090-1091, 2003
Constant-pH molecular dynamics with ionic strength effects: Protonation− conformation coupling in decalysine
M Machuqueiro, AM Baptista
The Journal of Physical Chemistry B 110 (6), 2927-2933, 2006
On the use of different dielectric constants for computing individual and pairwise terms in Poisson− Boltzmann studies of protein ionization equilibrium
VH Teixeira, CA Cunha, M Machuqueiro, ASF Oliveira, BL Victor, ...
The journal of physical chemistry B 109 (30), 14691-14706, 2005
Constant-pH molecular dynamics simulations reveal a β-rich form of the human prion protein
SRR Campos, M Machuqueiro, AM Baptista
The Journal of Physical Chemistry B 114 (39), 12692-12700, 2010
Acidic range titration of HEWL using a constant‐pH molecular dynamics method
M Machuqueiro, AM Baptista
Proteins: Structure, Function, and Bioinformatics 72 (1), 289-298, 2008
A Selective Direct Aldol Reaction in Aqueous Media Catalyzed byZinc–Proline
R Fernandez‐Lopez, J Kofoed, M Machuqueiro, T Darbre
European journal of organic chemistry 2005 (24), 5268-5276, 2005
Is the prediction of pKa values by constant‐pH molecular dynamics being hindered by inherited problems?
M Machuqueiro, AM Baptista
Proteins: Structure, Function, and Bioinformatics 79 (12), 3437-3447, 2011
Molecular Dynamics at Constant pH and Reduction Potential: Application to Cytochrome c3
M Machuqueiro, AM Baptista
Journal of the American Chemical Society 131 (35), 12586-12594, 2009
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
The pH-dependent conformational states of kyotorphin: a constant-pH molecular dynamics study
M Machuqueiro, AM Baptista
Biophysical journal 92 (6), 1836-1845, 2007
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
Zinc–proline catalyzed pathway for the formation of sugars
J Kofoed, M Machuqueiro, JL Reymond, T Darbre
Chemical communications, 1540-1541, 2004
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
Apple tree branches derived activated carbons for the removal of β-blocker atenolol
SCR Marques, AS Mestre, M Machuqueiro, AŽ Gotvajn, M Marinšek, ...
Chemical Engineering Journal 345, 669-678, 2018
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
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
Isorhamnetin derivatives and piscidic acid for hypercholesterolemia: cholesterol permeability, HMG-CoA reductase inhibition, and docking studies
A Ressaissi, N Attia, PL Falé, R Pacheco, BL Victor, M Machuqueiro, ...
Archives of Pharmacal Research, 1-9, 2017
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
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