Journal
BIOCHIMICA ET BIOPHYSICA ACTA-GENERAL SUBJECTS
Volume 1830, Issue 11, Pages 5211-5218Publisher
ELSEVIER SCIENCE BV
DOI: 10.1016/j.bbagen.2013.07.024
Keywords
Molecular dynamics; Advanced simulation; Protein motion; Membrane binding; Clustering; Oncogenic Ras
Categories
Funding
- Cancer Prevention and Research Institute of Texas (CPRIT) [RP101489]
- National Institutes of Health General Medical Sciences [R01GM100078]
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Background: A great deal has been learned over the last several decades about the function of Ras proteins in solution and membrane environments. While much of this knowledge has been derived from a plethora of experimental techniques, computer simulations have also played a substantial role. Scope of review: Our goal here is to summarize the contribution of molecular simulations to our current understanding of normal and aberrant Ras function. We focus on lessons from molecular dynamics simulations in aqueous and membrane environments. Major conclusions: The central message is that a close interaction between theory and simulation on the one hand and cell-biological, spectroscopic and other experimental approaches on the other has played, and will likely continue to play, a vital role in Ras research. General significance: Atomistic insights emerging from detailed simulations of Ras in solution and in bilayers may be the key to unlock the secret that to date prevented development of selective anti-Ras inhibitors for cancer therapy. (C) 2013 Elsevier B.V. All rights reserved.
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