Concepedia

Advances in the molecular dynamics flexible fitting method for cryo-EM modeling

Ryan McGreevy, Ivan Teo, Abhishek Singharoy, Klaus Schulten

Methods · 2016 · 92 citations · 98 references

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References

98

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

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<i>PHENIX</i>: a comprehensive Python-based system for macromolecular structure solution

Paul D. Adams, Pavel V. Afonine, G. Bunkóczi et al. · Acta Crystallographica Section D Biological Crystallography · 2010 · 24.5K citations · Full text

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Scalable molecular dynamics with NAMD

J. C. Phillips, Rosemary Braun, Wei Wang et al. · Journal of Computational Chemistry · 2005 · 17.4K citations · Full text

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<i>MolProbity</i>: all-atom structure validation for macromolecular crystallography

Vincent B. Chen, W.B. Arendall, Jeffrey J. Headd et al. · Acta Crystallographica Section D Biological Crystallography · 2009 · 14.7K citations · Full text

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