A New Method for Coarse-Grained Elastic Normal-Mode Analysis |
| |
Authors: | Lu Mingyang Poon Billy Ma Jianpeng |
| |
Affiliation: | Department of Biochemistry and Molecular Biology, Baylor College of Medicine, One Baylor Plaza, BCM-125, Houston, Texas 77030. |
| |
Abstract: | In this paper, we report a new method for coarse-grained elastic normal-mode analysis. The purpose is to overcome a long-standing problem in the conventional analysis called the tip effect that makes the motional patterns (eigenvectors) of some low-frequency modes irrational. The new method retains the merits of a conventional method such as not requiring lengthy initial energy minimization, which always distorts structures, and also delivers substantially more accurate low-frequency modes with no tip effect for proteins of any size. This improvement of modes is crucial for certain types of applications such as structural refinement or normal-mode-based sampling. |
| |
Keywords: | |
本文献已被 PubMed 等数据库收录! |
|