Concepedia

Structural basis for modulation of a G-protein-coupled receptor by allosteric drugs

Ron O. Dror, Hillary F. Green, Céline Valant, David W. Borhani, James R. Valcourt, Albert C. Pan, Daniel H. Arlow, Meritxell Canals, J. Robert Lane, Raphaël Rahmani,

Nature · 2013 · 425 citations · 46 references

DOI

Concepts

References

46

VMD: Visual molecular dynamics

William Humphrey, Andrew Dalke, Klaus Schulten · Journal of Molecular Graphics · 1996 · 66.6K citations

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The PyMOL Molecular Graphics System

Warren L. DeLano · Medical Entomology and Zoology · 2002 · 18.1K citations

, , +11

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

CHARMM general force field: A force field for drug‐like molecules compatible with the CHARMM all‐atom additive biological force fields

Kenno Vanommeslaeghe, Elizabeth Hatcher, Chitrangada Acharya et al. · Journal of Computational Chemistry · 2009 · 7.5K citations · Full text

, , +17

Electrostatics of nanosystems: Application to microtubules and the ribosome

Nathan Baker, David Sept, Simpson Joseph et al. · Proceedings of the National Academy of Sciences · 2001 · 7.3K citations · Full text

, , +16