Rafael de Santana Nunes


AuthID: R-00J-T3C

Confirmed Publications: 26



11
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 | CIÊNCIAVITAE
12
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 | CIÊNCIAVITAE
13
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 | CIÊNCIAVITAE
14
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 | CIÊNCIAVITAE
15
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
IN MY: ORCID | CIÊNCIAVITAE
16
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19
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
IN MY: ORCID | CIÊNCIAVITAE
20
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
IN MY: ORCID | CIÊNCIAVITAE
Page 2 of 3. Total results: 26.

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