Concepedia

Binding specificity of polypeptide substrates in NS2B/NS3pro serine protease of dengue virus type 2: A molecular dynamics Study

Pathumwadee Yotmanee, Thanyada Rungrotmongkol, Kanin Wichapong, Sy Bing Choi, Habibah A. Wahab, Nawee Kungwan, Supot Hannongbua

Journal of Molecular Graphics and Modelling · 2015 · 22 citations · 40 references

DOI

Concepts

References

40

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

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

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

A point‐charge force field for molecular mechanics simulations of proteins based on condensed‐phase quantum mechanical calculations

Yong Duan, Chun Wu, Shibasish Chowdhury et al. · Journal of Computational Chemistry · 2003 · 4.5K citations

, , +17

Structure of Dengue Virus

Richard Kühn, Wei Zhang, Michael G. Rossmann et al. · Cell · 2002 · 1.6K citations · Full text

, , +12