Assessment of Halogen Off-Center Point-Charge Models Using Explicit Solvent Simulations-Reference-Cited by-同舟云学术

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Assessment of Halogen Off-Center Point-Charge Models Using Explicit Solvent Simulations

Published:2023-11-27 Issue:23 Volume:63 Page:7464-7475
ISSN:1549-9596
Container-title:Journal of Chemical Information and Modeling
language:en
Short-container-title:J. Chem. Inf. Model.

Author:

Fortuna Andreia¹²³,Costa Paulo J.¹²^ORCID

Affiliation:

1. BioISI─Instituto de Biosistemas e Ciências Integrativas, Faculdade de Ciências, Universidade de Lisboa, Lisboa 1749-016, Portugal

2. Departamento de Química e Bioquímica, Faculdade de Ciências, Universidade de Lisboa, Lisboa 1749-016, Portugal

3. Research Institute for Medicines (iMed.ULisboa), Faculty of Pharmacy, University of Lisbon, Av. Professor Gama Pinto, Lisbon 1649-003, Portugal

Funder

HORIZON EUROPE Widening participation and spreading excellence

Funda??o para a Ci?ncia e a Tecnologia

Publisher

American Chemical Society (ACS)

Subject

Library and Information Sciences,Computer Science Applications,General Chemical Engineering,General Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jcim.3c01561

Reference46 articles.

1. Halogenation of Drugs Enhances Membrane Binding and Permeation

2. Computational Tools To Model Halogen Bonds in Medicinal Chemistry

3. Halogen bonds in biological molecules

4. Principles and Applications of Halogen Bonding in Medicinal Chemistry and Chemical Biology

5. Halogen bonding in halocarbon-protein complexes and computational tools for rational drug design

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