Increased usability, algorithmic improvements and incorporation of data mining for structure calculation of proteins with REDCRAFT software package.

ABSTRACT:

Background

Traditional approaches to elucidation of protein structures by Nuclear Magnetic Resonance spectroscopy (NMR) rely on distance restraints also known as Nuclear Overhauser effects (NOEs). The use of NOEs as the primary source of structure determination by NMR spectroscopy is time consuming and expensive. Residual Dipolar Couplings (RDCs) have become an alternate approach for structure calculation by NMR spectroscopy. In previous works, the software package REDCRAFT has been presented as a means of harnessing the information containing in RDCs for structure calculation of proteins. However, to meet its full potential, several improvements to REDCRAFT must be made.

Results

In this work, we present improvements to REDCRAFT that include increased usability, better inter

SUBMITTER: Cole C 

PROVIDER: S-EPMC7712608 | biostudies-literature | 2020 Dec

REPOSITORIES: biostudies-literature