Concepedia

Investigating the binding affinity, molecular dynamics, and ADMET properties of 2,3-dihydrobenzofuran derivatives as an inhibitor of fungi, bacteria, and virus protein

Ashutosh Nath, Ajoy Kumer, Fahmida Zaben, Md. Wahab Khan

Beni-Suef University Journal of Basic and Applied Sciences · 2021 · 72 citations · 38 references

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References

38

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 · 35.1K 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

Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings

Christopher A. Lipinski, Franco Lombardo, Beryl W. Dominy et al. · Advanced Drug Delivery Reviews · 1997 · 11K citations

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Automated docking using a Lamarckian genetic algorithm and an empirical binding free energy function

Garrett M. Morris, David S. Goodsell, Robert S. Halliday et al. · Journal of Computational Chemistry · 1998 · 10.7K citations

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A Fast Flexible Docking Method using an Incremental Construction Algorithm

Matthias Rarey, Bernd Krämer, Thomas Lengauer et al. · Journal of Molecular Biology · 1996 · 2.8K citations

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