Deriving quantitative dynamics information for proteins and RNAs using ROTDIF with a graphical user interface.

ABSTRACT: To facilitate rigorous analysis of molecular motions in proteins, DNA, and RNA, we present a new version of ROTDIF, a program for determining the overall rotational diffusion tensor from single- or multiple-field nuclear magnetic resonance relaxation data. We introduce four major features that expand the program's versatility and usability. The first feature is the ability to analyze, separately or together, (13)C and/or (15)N relaxation data collected at a single or multiple fields. A significant improvement in the accuracy compared to direct analysis of R2/R1 ratios, especially critical for analysis of (13)C relaxation data, is achieved by subtracting high-frequency contributions to relaxation rates. The second new feature is an improved method for computing the rotational diffusion tens

SUBMITTER: Berlin K 

PROVIDER: S-EPMC3939081 | biostudies-literature | 2013 Dec

REPOSITORIES: biostudies-literature