Normal-mode analysis of the glycine alpha1 receptor by three separate methods.

ABSTRACT: Predicting collective dynamics and structural changes in biological macromolecules is pivotal toward a better understanding of many biological processes. Limitations due to large system sizes and inaccessible time scales have prompted the development of alternative techniques for the calculation of such motions. In this work, we present the results of a normal-mode analysis technique based on molecular mechanics that enables the calculation of accurate force-field based vibrations of extremely large molecules and compare it with two elastic network approximate models. When applied to the glycine alpha1 receptor, all three normal-mode analysis algorithms demonstrate an "iris-like" gating motion. Such gating motions have implications for understanding the effects of anesthetic and other liga

SUBMITTER: Bertaccini EJ 

PROVIDER: S-EPMC2530920 | biostudies-literature | 2007 Jul-Aug

REPOSITORIES: biostudies-literature