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Methods in Molecular Biology (Clifton, N.J.)
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July 24, 2021
Transmembrane Anion Transport Mediated by Halogen Bonds: Using Off-Center Charges
Paulo J Costa
Physical Chemistry Chemical Physics : PCCP
|
June 26, 2023
Intrinsic bond strength index as a halogen bond interaction energy predictor
Ona Šivickytė, Paulo J Costa
Physical Chemistry Chemical Physics : PCCP
|
March 24, 2026
Impact of the halogen PB radii in the estimation of protein-ligand binding energies using MM-PBSA calculations
Andreia Fortuna, Paulo J Costa
Journal of Chemical Information and Modeling
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June 29, 2021
Optimized Halogen Atomic Radii for PBSA Calculations Using Off-Center Point Charges
Andreia Fortuna, Paulo J Costa
Chemistry, an Asian Journal
|
January 5, 2017
Ion-Pair Halogen Bonds in 2-Halo-Functionalized Imidazolium Chloride Receptors: Substituent and Solvent Effects
Rafael Nunes, Paulo J Costa
Journal of Chemical Information and Modeling
|
November 27, 2023
Assessment of Halogen Off-Center Point-Charge Models Using Explicit Solvent Simulations
Andreia Fortuna, Paulo J Costa
Biochimica Et Biophysica Acta
|
December 10, 2013
Interaction of a calix[4]arene derivative with a DOPC bilayer: biomolecular simulations towards chloride transport
Paulo J Costa, Igor Marques, Vítor Félix
Expert Opinion on Drug Discovery
|
May 28, 2019
Halogen bonding in halocarbon-protein complexes and computational tools for rational drug design
Paulo J Costa, Rafael Nunes, Diogo Vila-Viçosa
Journal of Chemical Theory and Computation
|
May 31, 2019
Tackling Halogenated Species with PBSA: Effect of Emulating the σ-Hole
Rafael Nunes, Diogo Vila-Viçosa, Paulo J Costa
BBA Advances
|
September 7, 2023
Recent advances on molecular dynamics-based techniques to address drug membrane permeability with atomistic detail
André M M Gomes, Paulo J Costa, Miguel Machuqueiro
Page
of 6
Search research articles
Search
Showing results (1-10 of 51) with videos related to
Sort By:
Page
of 6
Methods in Molecular Biology (Clifton, N.J.)
|
July 24, 2021
Transmembrane Anion Transport Mediated by Halogen Bonds: Using Off-Center Charges
Paulo J Costa
Physical Chemistry Chemical Physics : PCCP
|
June 26, 2023
Intrinsic bond strength index as a halogen bond interaction energy predictor
Ona Šivickytė, Paulo J Costa
Physical Chemistry Chemical Physics : PCCP
|
March 24, 2026
Impact of the halogen PB radii in the estimation of protein-ligand binding energies using MM-PBSA calculations
Andreia Fortuna, Paulo J Costa
Journal of Chemical Information and Modeling
|
June 29, 2021
Optimized Halogen Atomic Radii for PBSA Calculations Using Off-Center Point Charges
Andreia Fortuna, Paulo J Costa
Chemistry, an Asian Journal
|
January 5, 2017
Ion-Pair Halogen Bonds in 2-Halo-Functionalized Imidazolium Chloride Receptors: Substituent and Solvent Effects
Rafael Nunes, Paulo J Costa
Journal of Chemical Information and Modeling
|
November 27, 2023
Assessment of Halogen Off-Center Point-Charge Models Using Explicit Solvent Simulations
Andreia Fortuna, Paulo J Costa
Biochimica Et Biophysica Acta
|
December 10, 2013
Interaction of a calix[4]arene derivative with a DOPC bilayer: biomolecular simulations towards chloride transport
Paulo J Costa, Igor Marques, Vítor Félix
Expert Opinion on Drug Discovery
|
May 28, 2019
Halogen bonding in halocarbon-protein complexes and computational tools for rational drug design
Paulo J Costa, Rafael Nunes, Diogo Vila-Viçosa
Journal of Chemical Theory and Computation
|
May 31, 2019
Tackling Halogenated Species with PBSA: Effect of Emulating the σ-Hole
Rafael Nunes, Diogo Vila-Viçosa, Paulo J Costa
BBA Advances
|
September 7, 2023
Recent advances on molecular dynamics-based techniques to address drug membrane permeability with atomistic detail
André M M Gomes, Paulo J Costa, Miguel Machuqueiro
Page
of 6