Concepedia

Binding pattern of the long acting neuraminidase inhibitor laninamivir towards influenza A subtypes H5N1 and pandemic H1N1

Arthitaya Meeprasert, Wasinee Khuntawee, Kittiwat Kamlungsua, Nadtanet Nunthaboot, Thanyada Rungrotmongkol, Supot Hannongbua

Journal of Molecular Graphics and Modelling · 2012 · 32 citations · 39 references

DOI

Concepts

References

39

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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Numerical integration of the cartesian equations of motion of a system with constraints: molecular dynamics of n-alkanes

Jean-Paul Ryckaert, Giovanni Ciccotti, Herman J. C. Berendsen · Journal of Computational Physics · 1977 · 21.5K citations

, , +11

Development and testing of a general amber force field

Junmei Wang, Romain M. Wolf, James W. Caldwell et al. · Journal of Computational Chemistry · 2004 · 19.6K citations

, , +17

Insights into Protein–Protein Binding by Binding Free Energy Calculation and Free Energy Decomposition for the Ras–Raf and Ras–RalGDS Complexes

Holger Gohlke, Christina Kiel, David A. Case · Journal of Molecular Biology · 2003 · 1.2K citations

, , +17

The structure of H5N1 avian influenza neuraminidase suggests new opportunities for drug design

Rupert J. Russell, L.F. Haire, David Stevens et al. · Nature · 2006 · 816 citations

, , +13