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Journal of Chemical Information and Modeling|June 29, 2021
Optimized Halogen Atomic Radii for PBSA Calculations Using Off-Center Point ChargesAndreia Fortuna, 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 calculationsAndreia Fortuna, Paulo J Costa
Journal of Chemical Information and Modeling|November 27, 2023
Assessment of Halogen Off-Center Point-Charge Models Using Explicit Solvent SimulationsAndreia Fortuna, Paulo J Costa
Pharmaceuticals (Basel, Switzerland)|May 25, 2024
Synthesis, Activity, Toxicity, and In Silico Studies of New Antimycobacterial N-Alkyl NitrobenzamidesJoão P Pais, Olha Antoniuk, David Pires, et al.
Chemmedchem|May 16, 2022
Synthesis and Exploitation of the Biological Profile of Novel Guanidino Xylofuranose DerivativesAndreia Fortuna, Rita Gonçalves-Pereira, Paulo J Costa, et al.
Methods in Molecular Biology (Clifton, N.J.)|July 24, 2021
Transmembrane Anion Transport Mediated by Halogen Bonds: Using Off-Center ChargesPaulo J Costa
Physical Chemistry Chemical Physics : PCCP|June 26, 2023
Intrinsic bond strength index as a halogen bond interaction energy predictorOna Šivickytė, 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 transportPaulo J Costa, Igor Marques, Vítor Félix
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