Concepedia

Target Flexibility: An Emerging Consideration in Drug Discovery and Design

Pietro Cozzini, Glen E. Kellogg, Francesca Spyrakis, Donald J. Abraham, Gabriele Costantino, Andrew Emerson, Francesca Fanelli, Holger Gohlke, Leslie A. Kuhn, Garrett M. Morris,

Journal of Medicinal Chemistry · 2008 · 320 citations · 125 references

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As a J. Med. Chem. Perspective, this article does not have an abstract.

References

125

The Protein Data Bank

Helen M. Berman · Nucleic Acids Research · 2000 · 39.8K citations

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GROMACS: Fast, flexible, and free

David van der Spoel, Erik Lindahl, Berk Hess et al. · Journal of Computational Chemistry · 2005 · 19.1K citations

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The PyMOL Molecular Graphics System

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

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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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Development and Testing of the OPLS All-Atom Force Field on Conformational Energetics and Properties of Organic Liquids

William L. Jorgensen, David S. Maxwell, Julian Tirado‐Rives · Journal of the American Chemical Society · 1996 · 15.3K citations

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