Concepedia

Ab Initio Folding of Proteins with All-Atom Discrete Molecular Dynamics

Feng Ding, Douglas Tsao, Huifen Nie, Nikolay V. Dokholyan

Structure · 2008 · 337 citations · 41 references

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Concepts

References

41

THE weighted histogram analysis method for free‐energy calculations on biomolecules. I. The method

John M. Rosenberg, Djamal Bouzida, Robert H. Swendsen et al. · Journal of Computational Chemistry · 1992 · 6.9K citations

, , +17

Molecular dynamics simulations at constant pressure and/or temperature

Hans Christian Andersen · The Journal of Chemical Physics · 1980 · 5.7K citations

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Design of a Novel Globular Protein Fold with Atomic-Level Accuracy

Brian Kuhlman, Gautam Dantas, Gregory C. Ireton et al. · Science · 2003 · 1.7K citations

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Effective energy function for proteins in solution

Themis Lazaridis, Martin Karplus · Proteins Structure Function and Bioinformatics · 1999 · 1.3K citations · Full text

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MMTSB Tool Set: enhanced sampling and multiscale modeling methods for applications in structural biology

Michael Feig, John Karanicolas, Charles L. Brooks · Journal of Molecular Graphics and Modelling · 2004 · 887 citations

, , +11