Ontology highlight
ABSTRACT:
SUBMITTER: Lu M
PROVIDER: S-EPMC3133770 | biostudies-literature | 2006
REPOSITORIES: biostudies-literature
Lu Mingyang M Poon Billy B Ma Jianpeng J
Journal of chemical theory and computation 20060101 3
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 ...[more]