Concepedia

Bioremediation potential of laccase for catalysis of glyphosate, isoproturon, lignin, and parathion: Molecular docking, dynamics, and simulation

Pankaj Bhatt, Kalpana Bhatt, Wenjuan Chen, Yaohua Huang, Ying Xiao, Siyi Wu, Qiqi Lei, Jianfeng Zhong, Xixian Zhu, Shaohua Chen

Journal of Hazardous Materials · 2022 · 129 citations · 59 references

DOI

Concepts

References

59

Comparison of simple potential functions for simulating liquid water

William L. Jorgensen, Jayaraman Chandrasekhar, Jeffry D. Madura et al. · The Journal of Chemical Physics · 1983 · 42.1K citations

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<i>g_mmpbsa</i>—A GROMACS Tool for High-Throughput MM-PBSA Calculations

Rashmi Kumari, Rajendra Kumar · Journal of Chemical Information and Modeling · 2014 · 4.8K citations

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Small-Molecule Library Screening by Docking with PyRx

Sargis Dallakyan, Arthur J. Olson · Methods in molecular biology · 2014 · 3.9K citations

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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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Principal Component Analysis: A Method for Determining the Essential Dynamics of Proteins

Charles David, Donald J. Jacobs · Methods in molecular biology · 2013 · 1.2K citations

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