Concepedia

Solvent effect on molecular, electronic parameters, topological analysis and Fukui function evaluation with biological studies of imidazo [1, 2-a] pyridine-8-carboxylic acid

S. Selvakumari, Krishna Murthy Potla, D. Shanthi, Ahmad Irfan, S. Muthu

Journal of Molecular Liquids · 2023 · 24 citations · 39 references

DOI

Concepts

References

39

Multiwfn: A multifunctional wavefunction analyzer

Tian Lu, Feiwu Chen · Journal of Computational Chemistry · 2011 · 39.7K citations

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AutoDock4 and AutoDockTools4: Automated docking with selective receptor flexibility

Garrett M. Morris, Ruth Huey, William Lindstrom et al. · Journal of Computational Chemistry · 2009 · 23.9K citations · Full text

SwissADME: a free web tool to evaluate pharmacokinetics, drug-likeness and medicinal chemistry friendliness of small molecules

Antoine Daina, Olivier Michielin, Vincent Zoete · Scientific Reports · 2017 · 15.8K citations · Full text

A simple measure of electron localization in atomic and molecular systems

Axel D. Becke, Kenneth E. Edgecombe · The Journal of Chemical Physics · 1990 · 6.8K citations

Classification of chemical bonds based on topological analysis of electron localization functions

Bernard Silvi, Andreas Savin · Nature · 1994 · 4.2K citations

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