Miguel Ângelo dos Santos Machuqueiro


AuthID: R-000-D71

Confirmed Publications: 127



41
TITLE: In Silico End-to-End Protein-Ligand Interaction Characterization Pipeline: The Case of SARS-CoV-2
AUTHORS: Rosario Ferreira, N; Baptista, SJ; Barreto, CAV; Rodrigues, FEP; Silva, TFD; Ferreira, SGF; Vitorino, JNM; Melo, R; Victor, BL; Machuqueiro, M ; Moreira, IS;
PUBLISHED: 2021, SOURCE: ACS SYNTHETIC BIOLOGY, VOLUME: 10, ISSUE: 11
INDEXED IN: Scopus WOS CrossRef: 10
IN MY: ORCID | CIÊNCIAVITAE
42
TITLE: pK a Calculations in Membrane Proteins from Molecular Dynamics Simulations
AUTHORS: Nuno F B Oliveira; Tomás F D Silva; Pedro B P S Reis; Miguel Machuqueiro ;
PUBLISHED: 2021, SOURCE: Methods in Molecular Biology - Computational Design of Membrane Proteins
INDEXED IN: CrossRef: 2
IN MY: ORCID | CIÊNCIAVITAE
43
TITLE: Predicting stable binding modes from simulated dimers of the D76N mutant of beta 2-microglobulin
AUTHORS: Oliveira, NFB; Rodrigues, FEP; Vitorino, JNM; Loureiro, RJS; Faisca, PFN ; Machuqueiro, M ;
PUBLISHED: 2021, SOURCE: COMPUTATIONAL AND STRUCTURAL BIOTECHNOLOGY JOURNAL, VOLUME: 19
INDEXED IN: WOS CrossRef: 4
IN MY: ORCID | CIÊNCIAVITAE
44
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 | CIÊNCIAVITAE
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 | CIÊNCIAVITAE
46
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 | CIÊNCIAVITAE
47
48
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 | CIÊNCIAVITAE
49
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 | CIÊNCIAVITAE
50
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 | CIÊNCIAVITAE
Page 5 of 13. Total results: 127.

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