Characterising GPCR–ligand interactions using a fragment molecular orbital-based approach-Reference-Cited by-同舟云学术

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Characterising GPCR–ligand interactions using a fragment molecular orbital-based approach

Published:2019-04 Issue: Volume:55 Page:85-92
ISSN:0959-440X
Container-title:Current Opinion in Structural Biology
language:en
Short-container-title:Current Opinion in Structural Biology

Author:

Heifetz Alexander,James Tim,Southey Michelle,Morao Inaki,Aldeghi Matteo,Sarrat Laurie,Fedorov Dmitri G,Bodkin Mike J,Townsend-Nicholson Andrea

Funder

EU H2020 CompBioMed

Alexander von Humboldt Foundation

Publisher

Elsevier BV

Subject

Molecular Biology,Structural Biology

Reference52 articles.

1. Trends in GPCR drug discovery: new agents, targets and indications;Hauser;Nat Rev Drug Discov,2017

2. Reprogramming G protein coupled receptor structure and function;Keri;Curr Opin Struct Biol,2018

3. Recent trends and applications of molecular modeling in GPCR(-)ligand recognition and structure-based drug design;Yuan;Int J Mol Sci,2018

4. Structural studies of G protein-coupled receptors;Zhang;Mol Cells,2015

5. GPCRdb in 2018: adding GPCR structure models and ligands;Pandy-Szekeres;Nucleic Acids Res,2018

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2. Moving out of CF₃‐Land: Synthesis, Receptor Affinity, and in silico Studies of NK1 Receptor Ligands Containing a Pentafluorosulfanyl (SF₅) Group;ChemMedChem;2023-10-27

3. Designing drugs when there is low data availability: one-shot learning and other approaches to face the issues of a long-term concern;Expert Opinion on Drug Discovery;2022-08-30

4. Hotspot Identification and Drug Design of Protein–Protein Interaction Modulators Using the Fragment Molecular Orbital Method;Journal of Chemical Information and Modeling;2022-08-08

5. Fragment molecular orbital calculations for biomolecules;Current Opinion in Structural Biology;2022-02

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