title: A New Method for Coarse-Grained Elastic Normal-Mode Analysis.
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.
authors.affiliation: Department of Biochemistry and Molecular Biology, Baylor College of Medicine, One Baylor Plaza, BCM-125, Houston, Texas 77030.
authors.forename: Mingyang
authors.initials: M
authors.lastname: Lu
authors.forename: Billy
authors.initials: B
authors.lastname: Poon
authors.forename: Jianpeng
authors.initials: J
authors.lastname: Ma