Concepedia

Polymyxins interaction to the human serum albumin: A thermodynamic and computational study

Atefeh Poursoleiman, Mohammad Hossein Karimi‐Jafari, Zahra Zolmajd-Haghighi, Minoo Bagheri, Thomas Haertlé, G. Rezaei Behbehani, Ali Ghasemi, Yulia Yu. Stroylova, Vladimir I. Muronetz, Ali Akbar Saboury

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy · 2019 · 27 citations · 50 references

DOI

Concepts

References

50

VMD: Visual molecular dynamics

William Humphrey, Andrew Dalke, Klaus Schulten · Journal of Molecular Graphics · 1996 · 66.6K citations

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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

, , +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

, , +17

Molecular dynamics with coupling to an external bath

Herman J. C. Berendsen, Johan P. M. Postma, Wilfred F. van Gunsteren et al. · The Journal of Chemical Physics · 1984 · 31K citations · Full text

, , +17

A smooth particle mesh Ewald method

Ulrich Essmann, L. Perera, Max L. Berkowitz et al. · The Journal of Chemical Physics · 1995 · 22.9K citations

, , +13