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TITLE: Computational Design of Membrane Proteins
AUTHORS: Irina S Moreira; Miguel Machuqueiro; Joana Mourão;
PUBLISHED: 2021, SOURCE: Methods in Molecular Biology
INDEXED IN: CrossRef Openlibrary
IN MY: ORCID
42
TITLE: Improvement of conventional anti-cancer drugs as new tools against multidrug resistant tumors
AUTHORS: Dallavalle, S; Dobricic, V; Lazzarato, L; Gazzano, E; Machuqueiro, M; Pajeva, I; Tsakovska, I; Zidar, N; Fruttero, R;
PUBLISHED: 2020, SOURCE: DRUG RESISTANCE UPDATES, VOLUME: 50
INDEXED IN: Scopus WOS CrossRef: 175
IN MY: ORCID
43
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
IN MY: ORCID
45
TITLE: Improved GROMOS 54A7 Charge Sets for Phosphorylated Tyr, Ser, and Thr to Deal with pH-Dependent Binding Phenomena
AUTHORS: Oliveira, NFB; Pires, IDS; Machuqueiro, M;
PUBLISHED: 2020, SOURCE: JOURNAL OF CHEMICAL THEORY AND COMPUTATION, VOLUME: 16, ISSUE: 10
INDEXED IN: Scopus WOS CrossRef: 13
IN MY: ORCID
46
TITLE: Glucosylpolyphenols as Inhibitors of A beta-Induced Fyn Kinase Activation and Tau Phosphorylation: Synthesis, Membrane Permeability, and Exploratory Target Assessment within the Scope of Type 2 Diabetes and Alzheimer's Disease  Full Text
AUTHORS: de Matos, AM; Blazquez Sanchez, MT; Bento Oliveira, A; de Almeida, RFM; Nunes, Rafael ; Lopes, PEM; Machuqueiro, M; Cristovao, JS; Gomes, CM; Souza, CS; El Idrissi, IG; Colabufo, NA; Diniz, A; Marcelo, F; Oliveira, MC; Lopez, O; Fernandez Bolanos, JG; Datwyler, P; Ernst, B; Ning, K; Garwood, C; Chen, BN; Rauter, AP; ...More
PUBLISHED: 2020, SOURCE: JOURNAL OF MEDICINAL CHEMISTRY, VOLUME: 63, ISSUE: 20
INDEXED IN: Scopus WOS CrossRef
IN MY: ORCID
47
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
IN MY: ORCID
48
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
IN MY: ORCID
49
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
IN MY: ORCID
50
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
IN MY: ORCID
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