Concepedia

A fragment-based drug discovery strategy applied to the identification of NDM-1 β-lactamase inhibitors

Jérémy Caburet, Benjamin Boucherle, Sofiane Bourdillon, Giorgia Simoncelli, Federica Verdirosa, Jean‐Denis Docquier, Yohann Moreau, Isabelle Krimm, Serge Crouzy, Marine Peuchmaur

European Journal of Medicinal Chemistry · 2022 · 17 citations · 43 references

DOIFull text

Open access

Concepts

References

43

Balanced basis sets of split valence, triple zeta valence and quadruple zeta valence quality for H to Rn: Design and assessment of accuracy

Florian Weigend, Reinhart Ahlrichs · Physical Chemistry Chemical Physics · 2005 · 29.9K citations

, , +15

Accurate Coulomb-fitting basis sets for H to Rn

Florian Weigend · Physical Chemistry Chemical Physics · 2006 · 8.8K citations

, , +12

DrugBank 5.0: a major update to the DrugBank database for 2018

David S. Wishart, Yannick Djoumbou-Feunang, An Chi Guo et al. · Nucleic Acids Research · 2017 · 8.8K citations · Full text

, , +13

Development and validation of a genetic algorithm for flexible docking 1 1Edited by F. E. Cohen

Gareth Jones, Peter Willett, Robert C. Glen et al. · Journal of Molecular Biology · 1997 · 6.7K citations

, , +14

ZINC 15 – Ligand Discovery for Everyone

Teague Sterling, John J. Irwin · Journal of Chemical Information and Modeling · 2015 · 3.4K citations · Full text

, , +13