Concepedia

Unveiling the multitargeted repurposing potential of taxifolin (dihydroquercetin) in cervical cancer: an extensive MM\GBSA-based screening, and MD simulation study

Hassan H. Almasoudi, Mohammed Ageeli Hakami, Abdulfattah Y. Alhazmi, Mohammed Makkawi, Sultan Alasmari, Youssef Saeed Alghamdi, Mutaib M. Mashraqi

Medical Oncology · 2023 · 11 citations · 24 references

DOI

Concepts

References

24

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 · 17.1K citations · Full text

, , +16

Lead- and drug-like compounds: the rule-of-five revolution

Christopher A. Lipinski · Drug Discovery Today Technologies · 2004 · 6.1K citations

, , +14

OPLS4: Improving Force Field Accuracy on Challenging Regimes of Chemical Space

Chao Lü, Chuanjie Wu, Delaram Ghoreishi et al. · Journal of Chemical Theory and Computation · 2021 · 1.9K citations

, , +13

Structural basis of STING binding with and phosphorylation by TBK1

Conggang Zhang, Guijun Shang, Xiang Gui et al. · Nature · 2019 · 1.1K citations

, , +12

<i>NpT</i>-ensemble Monte Carlo calculations for binary liquid mixtures

Ian R. McDonald · Molecular Physics · 1972 · 445 citations

, , +17