Concepedia

Atomistic simulation of the coupled adsorption and unfolding of protein GB1 on the polystyrenes nanoparticle surface

Huifang Xiao, Bin Huang, Ge Yao, Wenbin Kang, Sheng Gong, Hai Pan, Yi Cao, Jun Wang, Jian Zhang, Wei Wang

Science China Physics Mechanics and Astronomy · 2018 · 15 citations · 43 references

Open access

Concepts

Natural SciencesBiophysicsChemistryPhysical ChemistrySurface ChemistrySurface ScienceMolecular DynamicsNanoparticle SurfacesNanostructured SurfacesProtein AdsorptionSurface AdsorptionSurface PhysicsAdsorption MechanismsAdsorption On NanoparticlesColloid-surface InteractionsNanoparticle AdsorptionProtein Adsorption At NanoscaleProtein Adsorption To NanoparticlesProtein-surface Interactions

References

43

GROMACS 4: Algorithms for Highly Efficient, Load-Balanced, and Scalable Molecular Simulation

Berk Hess, Carsten Kutzner, David van der Spoel et al. · Journal of Chemical Theory and Computation · 2008 · 16K citations · Full text

Natural Sciences, Chemistry, High-performance Computing +17

Dictionary of protein secondary structure: Pattern recognition of hydrogen‐bonded and geometrical features

Wolfgang Kabsch, Christian Sander · Biopolymers · 1983 · 15.7K citations · Full text

Life Sciences, Biochemistry, Biophysics +17

GROMACS: A message-passing parallel molecular dynamics implementation

Herman J. C. Berendsen, David van der Spoel, Rudi van Drunen · Computer Physics Communications · 1995 · 10.5K citations

Natural Sciences, High-performance Computing, Physics +10

Improved side‐chain torsion potentials for the Amber ff99SB protein force field

Kresten Lindorff‐Larsen, Stefano Piana, Kim Palmö et al. · Proteins Structure Function and Bioinformatics · 2010 · 6.3K citations · Full text

Natural Sciences, Biochemistry, Biophysics +17

Escaping free-energy minima

Alessandro Laio, Michele Parrinello · Proceedings of the National Academy of Sciences · 2002 · 5.7K citations · Full text

Natural Sciences, Chemistry, Physics +17