𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Modeling conformational change in macromolecules as an elastic deformation

✍ Scribed by Lawrence C. Andrews; Robert W. Harrison

Book ID
105358567
Publisher
John Wiley and Sons
Year
1991
Tongue
English
Weight
691 KB
Volume
10
Category
Article
ISSN
0887-3585

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✦ Synopsis

Macromolecules are elastic bodies. Atomic structures are available for nucleic acids and proteins in two or more different conformations. It is a common practice to compare two structures by finding the best rigid body superposition of the molecules. This ignores possible deformations. There is useful information in the deviations from the rigid body superposition. If the deviations are considered to be elastic deformations of a common structure than it is possible to extract this information. Results are shown for comparisons of deoxyhemoglobin versus carbonmonoxyhemoglobin and for two different conformations of catabolite gene activator protein.

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## Abstract The decryption of sequence of structural events during protein conformational transitions is essential to a detailed understanding of molecular functions ofvarious biological nanomachines. Coarse‐grained models have proven useful by allowing highly efficient simulations of protein confo