BIBLIOS
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Publications for pjcosta
(45)
2024
Synthesis, Activity, Toxicity, and In Silico Studies of New Antimycobacterial N-Alkyl Nitrobenzamides
(2024)
João P. Pais et al., with 8 authors including:
Andreia Fortuna
Paulo J. Costa
Journal articles
2024
Exploiting Co(III)-Cyclopentadienyl Complexes To Develop Anticancer Agents
(2024)
João Franco Machado et al., with 9 authors including:
Paulo J. Costa
Maria Helena Garcia
Tânia S. Morais
Journal articles
2024
The Challenging Reaction of Cyclopropenones with Benzamide Catalyzed by Rh(III): A Computational Study
(2024)
Luis F. Veiros et al., with 6 authors including:
Paulo J. Costa
Journal articles
2024
Influence of Iodine Merz–Singh–Kollman Radius on the Calculated Charges and Hydration Free Energies of Iodinated Molecules
(2024)
Andreia Fortuna
Pedro M. S. Suzano
Miguel Machuqueiro
Paulo J. Costa
Journal articles
2024
Paraptotic Cell Death as an Unprecedented Mode of Action Observed for New Bipyridine-Silver(I) Compounds Bearing Phosphane Coligands
(2024)
Ricardo G. Teixeira et al., with 20 authors including:
Paulo J. Costa
Journal articles
2024
What drives the membrane permeability of drugs? : a study on untackled effects
(2024)
Costa, Paulo Jorge Ferreira de Matos
Ferreira, Maria José Umbelino
Gomes, André Miguel Miranda
Academic documents
2024
Tackling solvation and permeability using computational methods : the role of noncovalent interactions
(2024)
Andreia Jesus Lopes Fortuna
Paulo Jorge Ferreira de Matos Costa
Pedro Ricardo da Rocha Florindo
Academic documents
2024
Improved drug discovery: towards an energy-based criterion to characterize ligand interactions with biomolecular targets
(2024)
Dias, Tiago Gonçalves
Costa, Paulo Jorge Ferreira de Matos
Victor, Bruno Lourenço da Silva
Academic documents
2023
Assessment of Halogen Off-Center Point-Charge Models Using Explicit Solvent Simulations
(2023)
Andreia Fortuna
Paulo J. Costa
Journal articles
2023
Development of a new hybrid therapeutic agent against malaria by targeting the Aquaglyceroporin from plasmodium spp
(2023)
Batista, Marta Sofia Pedro
Victor, Bruno Lourenço da Silva
Costa, Paulo Jorge Ferreira de Matos
Academic documents
2023
Mechanistic insights into the electrochemical reduction of CO
2
to CO on Ni(salphen) complexes
(2023)
Sara Realista
Paulo J. Costa
Luisa B. Maia
Maria José Calhorda
Paulo N. Martinho
Journal articles
2023
Intrinsic bond strength index as a halogen bond interaction energy predictor
(2023)
Ona Šivickytė
Paulo J. Costa
Journal articles
2023
C–H functionalization of quinoline N-oxides catalyzed by Pd(
ii
) complexes: a computational study
(2023)
Paulo J. Costa
Frederico F. Martins
Chao Pi
Xiuling Cui
Maria José Calhorda
Journal articles
2023
Recent advances on molecular dynamics-based techniques to address drug membrane permeability with atomistic detail
(2023)
André M.M. Gomes
Paulo J. Costa
Miguel Machuqueiro
Journal articles
2022
Intrinsic Bond Strength Index as a halogen bond interaction energy predictor
(2022)
Ona Šivickytė
Paulo J. Costa
Journal articles
2022
Synthesis and Exploitation of the Biological Profile of Novel Guanidino Xylofuranose Derivatives**
(2022)
Andreia Fortuna et al., with 10 authors including:
Paulo J. Costa
Nuno M. Xavier
Journal articles
2022
Synthesis and Exploitation of the Biological Profile of Novel Guanidino Xylofuranose Derivatives**
(2022)
Andreia Fortuna et al., with 10 authors including:
Andreia Fortuna
Paulo J. Costa
Journal articles
2022
New perspectives for halogen bonding : insights from computational tools
(2022)
Sivickytè, Ona
Costa, Paulo Jorge Ferreira de Matos
Academic documents
2022
Photomodulation of ultrastable host–guest complexes in water and their application in light-controlled steroid release
(2022)
Patrícia Máximo et al., with 7 authors including:
Paulo J. Costa
Journal articles
2021
Optimized Halogen Atomic Radii for PBSA Calculations Using Off-Center Point Charges
(2021)
Andreia Fortuna
Paulo J. Costa
Journal articles
2021
Binding of RuCp complexes with human apo-transferrin: fluorescence spectroscopy and molecular docking methods
(2021)
Filipa C. Santos
Paulo J. Costa
M. Helena Garcia
Tânia S. Morais
Journal articles
2021
Halogen Bonding: An Underestimated Player in Membrane–Ligand Interactions
(2021)
Rafael Santana Nunes
Diogo Vila-Viçosa
Paulo J. Costa
Journal articles
2021
Alumination of aryl methyl ethers: switching between sp2 and sp3 C–O bond functionalisation with Pd-catalysis
(2021)
Ryan K. Brown et al., with 6 authors including:
Paulo J. Costa
Journal articles
2021
Transmembrane Anion Transport Mediated by Halogen Bonds: Using Off-Center Charges
(2021)
Paulo J. Costa
Book chapters
2020
Synthesis of Triazole-Containing Furanosyl Nucleoside Analogues and Their Phosphate, Phosphoramidate or Phoshonate Derivatives as Potential Sugar Diphosphate or Nucleotide Mimetics
(2020)
Andreia Fortuna
Paulo J. Costa
M. Fátima M. Piedade
M. Conceição Oliveira
Nuno M. Xavier
Journal articles
2020
A new family of Iron(II)-Cyclopentadienyl compounds shows strong activity against colorectal and triple negative breast cancer cells
(2020)
Adhan Pilon et al., with 8 authors including:
Ana Rita Brás
Leonor Côrte-Real
Paulo J. Costa
M. Helena Garcia
Andreia Valente
Journal articles
2020
Targeting proteins with halogenated drugs: new strategies to probe halogen-bonding hotspots
(2020)
Bernardo Miguel Vagarinho Henriques
Paulo Jorge Ferreira de Matos Costa
Academic documents
2020
Catalyst control of selectivity in the C–O bond alumination of biomass derived furans
(2020)
Thomas N. Hooper et al., with 7 authors including:
Paulo J. Costa
Journal articles
2019
Tackling Halogenated Species with PBSA: Effect of Emulating the ?-Hole
(2019)
Rafael Nunes
Diogo Vila-Viçosa
Paulo J. Costa
Journal articles
2019
Halogen bonding in halocarbon-protein complexes and computational tools for rational drug design
(2019)
Paulo J. Costa
Rafael Nunes
Diogo Vila-Viçosa
Journal articles
2019
Directing self-assembly in solution towards improved cooperativity in Fe(iii) complexes with amphiphilic tridentate ligands
(2019)
Ana I. Vicente et al., with 12 authors including:
Liliana P. Ferreira
Maria de Deus Carvalho
Sara Realista
Paulo J. Costa
Maria José Calhorda
Paulo N. Martinho
Journal articles
2018
Síntese e design racional de novos análogos de nucleósidos e de nucleótidos como potenciais inibidores de cinases com interesse terapêutico
(2018)
Andreia Jesus Lopes Fortuna
Nuno Manuel Xavier
Paulo Costa
Academic documents
2018
Biomolecular Simulations of Halogen Bonds with a GROMOS Force Field
(2018)
Rafael Nunes
Diogo Vila-Viçosa
Miguel Machuqueiro
Paulo J. Costa
Journal articles
2018
Accurate Description of Low-Lying Excited States in a Series of Photoreactive Clusters [Os3(CO)10(alpha-diimine)] by DFT Calculations
(2018)
František Hartl
Maarten J. Bakker
Vanessa F. Santos
Paulo J. Costa
Maria José Calhorda
Journal articles
2018
Furanosyl Nucleoside Analogues Embodying Triazole or Theobromine Units as Potential Lead Molecules for Alzheimer's Disease
(2018)
Rita Gonçalves-Pereira et al., with 9 authors including:
Paulo J. Costa
Nuno M. Xavier
Journal articles
2018
Hydrophosphonylation of aldehydes catalyzed by cyclopentadienyl ruthenium(II) complexes
(2018)
Ivânia R. Cabrita
Pedro R. Florindo
Paulo J. Costa
M. Conceição Oliveira
Ana C. Fernandes
Journal articles
2017
The halogen bond: Nature and applications
(2017)
Paulo J. Costa
Journal articles
2017
Structure, bonding and reactivity of seven-coordinate allylic Mo(II) and W(II) complexes
(2017)
Maria José Calhorda
Paulo J. Costa
Journal articles
2017
pH-Switchability and Second-Order Nonlinear Optical Properties of Monocyclopentadienylruthenium(II)/iron(II) Tetrazoles/Tetrazolates: Synthesis, Characterization, and Time-Dependent Density Functional Theory Calculations
(2017)
Pedro R. Florindo
Paulo J. Costa
M. F. M. Piedade
M. Paula Robalo
Journal articles
2017
New copper(I) and heteronuclear copper(I)–ruthenium(II) complexes: Synthesis, structural characterization and cytotoxicity
(2017)
João Lopes et al., with 8 authors including:
Tânia S. Morais
Paulo J. Costa
M. Fátima M. Piedade
Maria J. Villa de Brito
M. Helena Garcia
Journal articles
2017
Ion-Pair Halogen Bonds in 2-Halo-Functionalized Imidazolium Chloride Receptors: Substituent and Solvent Effects
(2017)
Rafael Nunes
Paulo J. Costa
Journal articles
2016
Synthesis of glucopyranos-6′-yl purine and pyrimidine isonucleosides as potential cholinesterase inhibitors. Access to pyrimidine-linked pseudodisaccharides through Mitsunobu reaction
(2016)
Daniela Batista et al., with 7 authors including:
Daniela Batista
Paulo J. Costa
Nuno M. Xavier
Journal articles
2016
New [(?5-C5H5)Ru(N–N)(PPh3)][PF6] compounds: colon anticancer activity and GLUT-mediated cellular uptake of carbohydrate-appended complexes
(2016)
Pedro R. Florindo et al., with 7 authors including:
Paulo J. Costa
M. F. M. Piedade
Journal articles
2015
Synthesis of novel glycosyl sulfonamides: conformational studies and furanose/pyranose isomerizations in robosyl derivatives
(2015)
Andreia Fortuna et al., with 6 authors including:
Paulo J. Costa
Nuno M. Xavier
Conference papers
2008
Determination of gas-phase acidities of dimethylphenols: Combined experimental and theoretical study
(2008)
Paulo J. Amorim Madeira
Paulo Jorge Costa
Maria Tereza Fernandez
José A. Martinho Simões
João Paulo Leal
Journal articles