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TITLE: Designing new antitubercular isoniazid derivatives with improved reactivity and membrane trafficking abilities  Full Text
AUTHORS: de Faria, CF; Moreira, T; Lopes, P; Costa, H; Krewall, JR; Barton, CM; Santos, S ; Goodwin, D; Machado, D; Miguel Viveiros ; Machuqueiro, M ; Martins, F ;
PUBLISHED: 2021, SOURCE: BIOMEDICINE & PHARMACOTHERAPY, VOLUME: 144
INDEXED IN: Scopus WOS CrossRef: 22 Handle
32
TITLE: Identification of Pan-Assay INterference compoundS (PAINS) Using an MD-Based Protocol
AUTHORS: Pedro R Magalhães; Pedro B P S Reis; Diogo Vila-Viçosa; Miguel Machuqueiro ; Bruno L Victor;
PUBLISHED: 2021, SOURCE: Methods in Molecular Biology - Computational Design of Membrane Proteins
INDEXED IN: CrossRef: 6
33
TITLE: Improved Protocol to Tackle the pH Effects on Membrane-Inserting Peptides
AUTHORS: Silva, TFD; Vila Vicosa, D; Machuqueiro, M ;
PUBLISHED: 2021, SOURCE: JOURNAL OF CHEMICAL THEORY AND COMPUTATION, VOLUME: 17, ISSUE: 7
INDEXED IN: WOS CrossRef: 14
34
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
35
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
36
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
37
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
38
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
39
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
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