Concepedia

Design, cyclization, and optimization of MMP13–TIMP1 interaction-derived self-inhibitory peptides against chondrocyte senescence in osteoarthritis

Wei Zhang, Chi Zhang, Congfeng Luo, Yulin Zhan, Biao Zhong

International Journal of Biological Macromolecules · 2018 · 26 citations · 38 references

DOI

Concepts

References

38

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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Particle mesh Ewald: An <i>N</i>⋅log(<i>N</i>) method for Ewald sums in large systems

Tom Darden, Darrin M. York, Lee G. Pedersen · The Journal of Chemical Physics · 1993 · 30.7K citations · Full text

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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

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

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Free Energy Calculations by the Molecular Mechanics Poisson−Boltzmann Surface Area Method

Nadine Homeyer, Holger Gohlke · Molecular Informatics · 2012 · 1.2K citations

, , +15