32
TITLE: Improved GROMOS 54A7 Charge Sets for Phosphorylated Tyr, Ser, and Thr to Deal with pH-Dependent Binding Phenomena  Full Text
AUTHORS: Nuno F B Oliveira; Ines D S Pires; Miguel Machuqueiro;
PUBLISHED: 2020, SOURCE: JOURNAL OF CHEMICAL THEORY AND COMPUTATION, VOLUME: 16, ISSUE: 10
INDEXED IN: Scopus WOS
33
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
34
TITLE: Sanguine Paint: Production, Characterization, and Adhesion to the Glass Substrate
AUTHORS: Angela Santos; Marcia Vilarigues;
PUBLISHED: 2019, SOURCE: STUDIES IN CONSERVATION, VOLUME: 64, ISSUE: 4
INDEXED IN: WOS
35
TITLE: A pH Replica Exchange Scheme in the Stochastic Titration Constant-pH MD Method
AUTHORS: Vila Viçosa, D; Reis, PBPS; Baptista, AM; Oostenbrink, C; MacHuqueiro, M;
PUBLISHED: 2019, SOURCE: Journal of Chemical Theory and Computation
INDEXED IN: Scopus
36
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
38
TITLE: Evaluation of different computational approaches to measure water permeabilities in Aquaporins  Full Text
AUTHORS: Magalhaes, PR; Vila Vicosa, D; Machuqueiro, MM; Victor, BL;
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
39
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
40
TITLE: pH Replica Exchange simulations of pHLIP peptides  Full Text
AUTHORS: Silva, TFD; Vila Vicosa, D; Machuqueiro, M;
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
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