Miguel Machuqueiro

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Diogo Vila ViçosaData Scientist, Schréder HyperionVerifierad e-postadress på schreder.com
António M. BaptistaPrincipal Investigator, ITQB NOVA, Instituto de Tecnologia Química e Biológica António Xavier, Universidade Nova de LisboaVerifierad e-postadress på itqb.unl.pt
Pedro B. P. S. ReisBayer AGVerifierad e-postadress på bayer.com
Tamis Darbreuniversity of bernVerifierad e-postadress på dcb.unibe.ch
Rita PachecoInstituto Superior de Engenharia de Lisboa (ISEL); BioISI/FCULVerifierad e-postadress på deq.isel.pt
Sara R. R. CamposInstituto de Tecnologia Química e Biológica António XavierVerifierad e-postadress på itqb.unl.pt
Patrícia FN FaíscaDepartment of Physics, Faculty of Sciences, University of LisbonVerifierad e-postadress på fc.ul.pt
amelia rauterUniversidade de LisboaVerifierad e-postadress på fc.ul.pt
Luís C. S. FilipeITQB-UNLVerifierad e-postadress på infosistema.com
Paulo J. CostaBioISI – Biosystems & Integrative Sciences Institute, Faculty of Sciences, University of LisboaVerifierad e-postadress på fc.ul.pt
Hugo A F SantosBioISI - Biosystems & Integrative Sciences InstituteVerifierad e-postadress på fc.ul.pt
Ana S. MestreCentro de Química Estrutural, Faculdade de Ciências, Universidade de Lisboa, 1749-016 LisboaVerifierad e-postadress på fc.ul.pt
Filomena MartinsCentro de Química Estrutural, Dep. de Química e Bioquímica, Faculdade de Ciências, Univ. de LisboaVerifierad e-postadress på ciencias.ulisboa.pt
Claudio M SoaresFull Professor, ITQB NOVA, Instituto de Tecnologia Química e Biológica António Xavier, UniversidadeVerifierad e-postadress på itqb.unl.pt
Ana Sofia Fernandes OliveiraSchool of Biochemistry & Center for Computational Chemistry, University of Bristol, UKVerifierad e-postadress på bristol.ac.uk
Ruben Elvas-LeitaoProfessor of Chemistry, Instituto Superior de Engenharia de LisboaVerifierad e-postadress på deq.isel.ipl.pt
Jean-Louis ReymondUniversity of BernVerifierad e-postadress på unibe.ch
Catarina A. Carvalheda dos SantosIsomorphic LabsVerifierad e-postadress på google.com
Filipe Vilas-BoasSea4Us - Biotecnologia e Recursos Marinhos, LdaVerifierad e-postadress på sea4us.pt
L. F. VeirosCentro de Química Estrutural; Instituto Superior Técnico; Universidade de LisboaVerifierad e-postadress på ist.utl.pt

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Miguel Machuqueiro

Assistant Professor at Faculdade de Ciências, Universidade de Lisboa

Verifierad e-postadress på ciencias.ulisboa.pt - Startsida

Computational Biophysics Molecular Modeling and Simulation pH Effects on Molecular Structure and


Titel Sortera efter citat Sortera efter år Sortera efter titel	Citeras av Citeras av	År
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	474	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	256	2020
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	153	2006
Zn-proline catalyzed direct aldol reaction in aqueous media T Darbre, M Machuqueiro Chemical Communications, 1090-1091, 2003	152	2003
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	114	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	113	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	100	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	91	2005
Is the prediction of pK_a 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	80	2011
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	76	2016
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	74	2009
The pH-dependent conformational states of kyotorphin: a constant-pH molecular dynamics study M Machuqueiro, AM Baptista Biophysical journal 92 (6), 1836-1845, 2007	65	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	63	2017
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	61	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	59	2018
Zinc–proline catalyzed pathway for the formation of sugars J Kofoed, M Machuqueiro, JL Reymond, T Darbre Chemical Communications, 1540-1541, 2004	58	2004
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	57	2017
PypKa: A Flexible Python Module for Poisson–Boltzmann-Based pK_a Calculations PBPS Reis, D Vila-Vicosa, W Rocchia, M Machuqueiro Journal of chemical information and modeling 60 (10), 4442-4448, 2020	56	2020
The lysosomotropic activity of hydrophobic weak base drugs is mediated via their intercalation into the lysosomal membrane M Stark, TFD Silva, G Levin, M Machuqueiro, YG Assaraf Cells 9 (5), 1082, 2020	52	2020
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	52	2018

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