Concepedia

Synthesis, antimicrobial activity, molecular docking and pharmacophore analysis of new propionyl mannopyranosides

Anis Ul Islam, Talia Serseg, Khedidja Benarous, Faez Ahmmed, Sarkar M. A. Kawsar

Journal of Molecular Structure · 2023 · 14 citations · 48 references

DOI

Concepts

References

48

GROMACS: High performance molecular simulations through multi-level parallelism from laptops to supercomputers

M Abraham, Teemu J. Murtola, Roland Schulz et al. · SoftwareX · 2015 · 26.8K citations · Full text

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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

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CHARMM general force field: A force field for drug‐like molecules compatible with the CHARMM all‐atom additive biological force fields

Kenno Vanommeslaeghe, Elizabeth Hatcher, Chitrangada Acharya et al. · Journal of Computational Chemistry · 2009 · 7.5K citations · Full text

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Radius of gyration as an indicator of protein structure compactness

M. Yu. Lobanov, Natalya S. Bogatyreva, Oxana V. Galzitskaya · Molecular Biology · 2008 · 1.6K citations

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admetSAR 2.0: web-service for prediction and optimization of chemical ADMET properties

Hongbin Yang, Chaofeng Lou, Lixia Sun et al. · Bioinformatics · 2018 · 1.4K citations

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