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TITLE: Halogen Bonding: An Underestimated Player in Membrane-Ligand Interactions  Full Text
AUTHORS: Nunes, Rafael ; Vila Vicosa, D; Costa, PJ;
PUBLISHED: 2021, SOURCE: JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, VOLUME: 143, ISSUE: 11
INDEXED IN: Scopus WOS
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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
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TITLE: Folding of cyclic peptides stabilized by halogen bonds  Full Text
AUTHORS: Vila Vicosa, D; Nunes, Rafael ; 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
IN MY: ORCID
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TITLE: Halogen bonding in halocarbon-protein complexes and computational tools for rational drug design
AUTHORS: Costa, PJ; Nunes, Rafael ; Vila Vicosa, D;
PUBLISHED: 2019, SOURCE: EXPERT OPINION ON DRUG DISCOVERY, VOLUME: 14, ISSUE: 8
INDEXED IN: Scopus WOS CrossRef: 10
IN MY: ORCID
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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
IN MY: ORCID
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TITLE: In silico design of halogenated carbohydrate mimetics as potential halogen-bonding ligands
AUTHORS: Nunes, Rafael ; Nuno M Xavier; Paulo J Costa;
PUBLISHED: 2019, SOURCE: Proceedings of MOL2NET 2018, International Conference on Multidisciplinary Sciences, 4th edition
INDEXED IN: CrossRef
IN MY: ORCID
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TITLE: Tackling halogenated species in biomolecular systems with force field methods: MD sampling and PBSA solvation energies  Full Text
AUTHORS: Costa, PJ; Vila Vicosa, D; Nunes, Rafael ;
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
IN MY: ORCID
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