Concepedia

Insights of potential trypanocidal effect of the synthetic derivative (2E)-1-(4-aminophenyl)-3-(2,4-dichlorophenyl)prop-2-en-1-one: in vitro assay, MEV analysis, quantum study, molecular docking, molecular dynamics, MPO analysis, and predictive ADMET

Márcia Machado Marinho, Matheus Nunes da Rocha, Emanuel Paula Magalhães, Lyanna Rodrigues Ribeiro, Caio Henrique Alexandre Roberto, Francisco Wagner Queiroz Almeida-Neto, Marília Lopes Monteiro, João Victor Serra Nunes, Ramon Róseo Paula Pessoa Bezerra de Menezes, Emmanuel Silva Marinho,

Naunyn-Schmiedeberg s Archives of Pharmacology · 2024 · 14 citations · 98 references

References

98

Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density

Chengteh Lee, Weitao Yang, Robert G. Parr · Physical review. B, Condensed matter · 1988 · 100.1K citations

Natural Sciences, Chemistry, Physics +17

Rapid colorimetric assay for cellular growth and survival: Application to proliferation and cytotoxicity assays

Tim R. Mosmann · Journal of Immunological Methods · 1983 · 55.6K citations

Life Sciences, Cell Biology, Apoptosis +14

UCSF Chimera—A visualization system for exploratory research and analysis

Eric F. Pettersen, Thomas D. Goddard, Conrad C. Huang et al. · Journal of Computational Chemistry · 2004 · 47.8K citations

Computing, Bioinformatics, Visualization +17

AutoDock Vina: Improving the speed and accuracy of docking with a new scoring function, efficient optimization, and multithreading

Oleg Trott, Arthur J. Olson · Journal of Computational Chemistry · 2009 · 37.1K citations · Full text

Pharmacy, Chemistry, Medicinal Chemistry +17

AutoDock4 and AutoDockTools4: Automated docking with selective receptor flexibility

Garrett M. Morris, Ruth Huey, William Lindstrom et al. · Journal of Computational Chemistry · 2009 · 25K citations · Full text

Pharmacy, Bioinformatics, Medicinal Chemistry +13