41
TITLE: PypKa: A Flexible Python Module for Poisson-Boltzmann-Based pK(a) Calculations
AUTHORS: Reis, PBPS; Vila Vicosa, D; Rocchia, W; Machuqueiro, M ;
PUBLISHED: 2020, SOURCE: JOURNAL OF CHEMICAL INFORMATION AND MODELING, VOLUME: 60, ISSUE: 10
INDEXED IN: Scopus WOS CrossRef: 40
42
TITLE: The Lysosomotropic Activity of Hydrophobic Weak Base Drugs is Mediated via Their Intercalation into the Lysosomal Membrane
AUTHORS: Stark, M; Silva, TFD; Levin, G; Machuqueiro, M ; Assaraf, YG;
PUBLISHED: 2020, SOURCE: CELLS, VOLUME: 9, ISSUE: 5
INDEXED IN: Scopus WOS CrossRef: 35
43
TITLE: A pH Replica Exchange Scheme in the Stochastic Titration Constant-pH MD Method  Full Text
AUTHORS: Vila Viçosa, D; Reis, PBPS; Baptista, AM; Oostenbrink, C; MacHuqueiro, M ;
PUBLISHED: 2019, SOURCE: Journal of Chemical Theory and Computation, VOLUME: 15, ISSUE: 5
INDEXED IN: Scopus CrossRef: 18
44
TITLE: Bioactivities of Centaurium erythraea (Gentianaceae) Decoctions: Antioxidant Activity, Enzyme Inhibition and Docking Studies
AUTHORS: Guedes, L; Reis, PBPS; Machuqueiro, M ; Ressaissi, A; Pacheco, R; Serralheiro, ML;
PUBLISHED: 2019, SOURCE: MOLECULES, VOLUME: 24, ISSUE: 20
INDEXED IN: Scopus WOS CrossRef: 25
45
TITLE: Dynamical Rearrangement of Human Epidermal Growth Factor Receptor 2 upon Antibody Binding: Effects on the Dimerization  Full Text
AUTHORS: Magalhaes, PR; Machuqueiro, M ; Almeida, JG; Melo, A ; Cordeiro, MNDS ; Verde, SC; Gumus, ZH; Moreira, IS; Correia, JDG; Melo, R;
PUBLISHED: 2019, SOURCE: BIOMOLECULES, VOLUME: 9, ISSUE: 11
INDEXED IN: Scopus WOS CrossRef
46
TITLE: Evaluation of EGCG Loading Capacity in DMPC Membranes  Full Text
AUTHORS: Pires, F; Geraldo, VPN; Rodrigues, B; de Granada Flor, A; de Almeida, RFM ; Oliveira, ON; Victor, BL; Machuqueiro, M ; Raposo, M ;
PUBLISHED: 2019, SOURCE: LANGMUIR, VOLUME: 35, ISSUE: 20
INDEXED IN: Scopus WOS CrossRef: 1
47
TITLE: Improved modeling of halogen-protein interactions in biomolecular simulations using a GROMOS force field  Full Text
AUTHORS: Nunes, Rafael ; Vila Vicosa, D; Machuqueiro, M ; Costa, PJ;
PUBLISHED: 2019, SOURCE: Joint 12th EBSA European Biophysics Congress / 10th IUPAP International Conference on Biological Physics (ICBP) in EUROPEAN BIOPHYSICS JOURNAL WITH BIOPHYSICS LETTERS, VOLUME: 48
INDEXED IN: WOS
48
TITLE: Molybdenum(ii) complexes with p-substituted BIAN ligands: synthesis, characterization, biological activity and computational study  Full Text
AUTHORS: Quintal, S; da Silva, MJP; Martins, SRM; Sales, R; Felix, V; Drew, MGB; Meireles, M; Mourato, AC ; Nunes, CD ; Saraiva, MS; Machuqueiro, M ; Calhorda, MJ;
PUBLISHED: 2019, SOURCE: DALTON TRANSACTIONS, VOLUME: 48, ISSUE: 23
INDEXED IN: Scopus WOS CrossRef: 17
49
TITLE: The Early Phase of beta 2m Aggregation: An Integrative Computational Study Framed on the D76N Mutant and the Delta N6 Variant
AUTHORS: Loureiro, RJS; Vila Vicosa, D; Machuqueiro, M ; Shakhnovich, EI; Faisca, PFN ;
PUBLISHED: 2019, SOURCE: BIOMOLECULES, VOLUME: 9, ISSUE: 8
INDEXED IN: Scopus WOS CrossRef: 11
50
TITLE: The multi-factorial nature of clinical multidrug resistance in cancer  Full Text
AUTHORS: Yehuda G Assaraf; Anamaria Brozovic; Ana Cristina Gonçalves ; Dana Jurkovicova; Aija Line; Miguel Machuqueiro ; Simona Saponara; Ana Bela Sarmento Ribeiro; Cristina P R Xavier; Helena H Vasconcelos ;
PUBLISHED: 2019, SOURCE: DRUG RESISTANCE UPDATES, VOLUME: 46
INDEXED IN: Scopus WOS CrossRef: 124
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