Paulo J Costa

ResearcherID Scopus Author ID Ciência ID ORCID

Publication Activity (10 Years)

Years Active: 2017-2023
Publications (10 Years): 14

Top Venues

Physical chemistry chemical physics : PCCP

Journal of chemical information and modeling

Journal of chemical theory and computation

ChemMedChem

Universidade de Lisboa Faculdade de Ciencias

Universidade de Lisboa (PHD)

This page only lists publications with an associated author ORCID identifier.

Affiliation History

Universidade de Lisboa Faculdade de Ciencias May 1o 2015

Portugal

Investigador Auxiliar / Investigador FCT :: Departamento de Química e Bioquímica

Education History

Universidade de Lisboa

Portugal

PHD

Publications

Ona Šivickytė, Paulo J Costa
Intrinsic bond strength index as a halogen bond interaction energy predictor. Physical chemistry chemical physics : PCCP (2023)
Paulo J Costa, Frederico F Martins, Chao Pi, Xiuling Cui, Maria José Calhorda
C-H functionalization of quinoline N-oxides catalyzed by Pd(II) complexes: a computational study. Physical chemistry chemical physics : PCCP (2023)
Andreia Fortuna, Paulo J Costa
Assessment of Halogen Off-Center Point-Charge Models Using Explicit Solvent Simulations. Journal of chemical information and modeling (2023)
Andreia Fortuna, Rita G Pereira, Paulo J Costa, Radek Jorda, Veronika Vojáčková, Gabriel Gonzalez, Niels V Heise, Rene Csuk, Maria Conceiçao Oliveira, Nuno Manuel Xavier
Synthesis and Exploitation of the Biological Profile of Novel Guanidino Xylofuranose Derivatives. ChemMedChem 17 (14) (2022)
Rafael Santana Nunes, Diogo Vila-Viçosa, Paulo J Costa
Halogen Bonding: An Underestimated Player in Membrane-Ligand Interactions. Journal of the American Chemical Society 143 (11) (2021)
Ryan K Brown, Thomas N Hooper, Feriel Rekhroukh, Andrew J P White, Paulo J Costa, Mark R Crimmin
Alumination of aryl methyl ethers: switching between sp2 and sp3 C-O bond functionalisation with Pd-catalysis. Chemical communications (Cambridge, England) 57 (88) (2021)
Andreia Fortuna, Paulo J Costa, M Fátima M Piedade, Maria Conceiçao Oliveira, Nuno Manuel Xavier
Synthesis of Triazole-Containing Furanosyl Nucleoside Analogues and Their Phosphate, Phosphoramidate or Phoshonate Derivatives as Potential Sugar Diphosphate or Nucleotide Mimetics. ChemPlusChem 85 (8) (2021)
Andreia Fortuna, Paulo J Costa
Optimized Halogen Atomic Radii for PBSA Calculations Using Off-Center Point Charges. Journal of chemical information and modeling 61 (7) (2021)
Thomas N Hooper, Ryan K Brown, Feriel Rekhroukh, Martí Garçon, Andrew J P White, Paulo J Costa, Mark R Crimmin
Catalyst control of selectivity in the C-O bond alumination of biomass derived furans. Chemical science 11 (30) (2020)
Paulo J Costa, Rafael Santana Nunes, Diogo Vila-Viçosa
Halogen bonding in halocarbon-protein complexes and computational tools for rational drug design. Expert opinion on drug discovery 14 (8) (2019)
Rafael Santana Nunes, Diogo Vila-Viçosa, Paulo J Costa
Tackling Halogenated Species with PBSA: Effect of Emulating the σ-Hole. Journal of chemical theory and computation 15 (7) (2019)
Rafael Santana Nunes, Diogo Vila-Viçosa, Miguel Machuqueiro, Paulo J Costa
Biomolecular Simulations of Halogen Bonds with a GROMOS Force Field. Journal of chemical theory and computation 14 (10) (2018)
František Hartl, Maarten J Bakker, Vanessa F Santos, Paulo J Costa, Maria José Calhorda
Accurate Description of Low-Lying Excited States in a Series of Photoreactive Clusters [Os3(CO)10(α-diimine)] by DFT Calculations. Inorganic chemistry 57 (18) (2018)
Rafael Santana Nunes, Paulo J Costa
Ion-Pair Halogen Bonds in 2-Halo-Functionalized Imidazolium Chloride Receptors: Substituent and Solvent Effects. Chemistry, an Asian journal 12 (5) (2017)

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Publication Activity (10 Years)

Top Topics

Top Venues

Paulo J Costa