31
TITLE: Directing self-assembly in solution towards improved cooperativity in Fe(iii) complexes with amphiphilic tridentate ligands
AUTHORS: Vicente, AI; Wu, XW; Ortin, Y; Ferreira, LP; Carvalho, MD; Realista, S; Barker, A; Morgan, GG; Galamba, N; Costa, PJ ; Calhorda, MJ; Martinho, PN;
PUBLISHED: 2019, SOURCE: DALTON TRANSACTIONS, VOLUME: 48, ISSUE: 13
INDEXED IN: Scopus WOS CrossRef: 5
32
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
33
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
34
TITLE: Tackling Halogenated Species with PBSA: Effect of Emulating the sigma-Hole  Full Text
AUTHORS: Nunes, Rafael ; Vila Vicosa, D; Costa, PJ ;
PUBLISHED: 2019, SOURCE: JOURNAL OF CHEMICAL THEORY AND COMPUTATION, VOLUME: 15, ISSUE: 7
INDEXED IN: WOS CrossRef: 4
37
TITLE: 3. The Halogen bond: Nature and Applications
AUTHORS: Paulo J Costa ;
PUBLISHED: 2018, SOURCE: Chemical Synergies
INDEXED IN: CrossRef: 1
38
TITLE: Accurate Description of Low-Lying Excited States in a Series of Photoreactive Clusters [Os-3(CO)(10)(alpha-diimine)] by DFT Calculations
AUTHORS: Hartl, F; Bakker, MJ; Santos, VF; Costa, PJ ; Calhorda, MJ;
PUBLISHED: 2018, SOURCE: INORGANIC CHEMISTRY, VOLUME: 57, ISSUE: 18
INDEXED IN: Scopus WOS CrossRef: 3
39
TITLE: Advances in the Computational Modeling of Halogen Bonds in Biochemical Systems
AUTHORS: Paulo J Costa ; Nunes, Rafael ;
PUBLISHED: 2018, SOURCE: Frontiers in Computational Chemistry: Volume 4 - Frontiers in Computational Chemistry
INDEXED IN: CrossRef
40
TITLE: Biomolecular Simulations of Halogen Bonds with a GROMOS Force Field  Full Text
AUTHORS: Nunes, Rafael ; Vila Vicosa, D; Machuqueiro, M ; Costa, PJ ;
PUBLISHED: 2018, SOURCE: JOURNAL OF CHEMICAL THEORY AND COMPUTATION, VOLUME: 14, ISSUE: 10
INDEXED IN: Scopus WOS CrossRef: 9
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