Concepedia

Transient Non-native Hydrogen Bonds Promote Activation of a Signaling Protein

Alexandra K. Gardino, Janice Villali, Aleksandr Kivenson, Ming Lei, Ce Feng Liu, P.A. Steindel, Elan Eisenmesser, Wladimir Labeikovsky, Magnus Wolf‐Watz, Michael W. Clarkson,

Cell · 2009 · 107 citations · 40 references

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NMRPipe: A multidimensional spectral processing system based on UNIX pipes

Frank Delaglio, Stephan Grzesiek, Geerten W. Vuister et al. · Journal of Biomolecular NMR · 1995 · 16.3K citations

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<scp>CHARMM</scp>: A program for macromolecular energy, minimization, and dynamics calculations

Bernard R. Brooks, Robert E. Bruccoleri, Barry D. Olafson et al. · Journal of Computational Chemistry · 1983 · 14.9K citations

, , +13

All-Atom Empirical Potential for Molecular Modeling and Dynamics Studies of Proteins

Alexander D. MacKerell, Donald Bashford, M. Bellott et al. · The Journal of Physical Chemistry B · 1998 · 14.5K citations

, , +17

On the nature of allosteric transitions: A plausible model

Jacques Monod, Jeffries Wyman, Jean‐Pierre Changeux · Journal of Molecular Biology · 1965 · 8.9K citations

, , +10

Extending the treatment of backbone energetics in protein force fields: Limitations of gas‐phase quantum mechanics in reproducing protein conformational distributions in molecular dynamics simulations

Alexander D. MacKerell, Michael Feig, Charles L. Brooks · Journal of Computational Chemistry · 2004 · 3.4K citations

, , +17