Unknown

Dataset Information

0

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.

SUBMITTER: Lu M 

PROVIDER: S-EPMC3133770 | biostudies-literature | 2006

REPOSITORIES: biostudies-literature

altmetric image

Publications

A New Method for Coarse-Grained Elastic Normal-Mode Analysis.

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]

Similar Datasets

| S-EPMC1482533 | biostudies-literature
| S-EPMC2726322 | biostudies-literature
| S-EPMC4373625 | biostudies-literature
| S-EPMC3953241 | biostudies-literature
| S-EPMC2563068 | biostudies-literature
| S-EPMC2292380 | biostudies-literature
| S-EPMC6391041 | biostudies-literature
| S-EPMC1302332 | biostudies-other
| S-EPMC2764101 | biostudies-literature
| S-EPMC2234116 | biostudies-literature