An improved protein structure evaluation using a semi-empirically derived structure property.

ABSTRACT:

Background

In the backdrop of challenge to obtain a protein structure under the known limitations of both experimental and theoretical techniques, the need of a fast as well as accurate protein structure evaluation method still exists to substantially reduce a huge gap between number of known sequences and structures. Among currently practiced theoretical techniques, homology modelling backed by molecular dynamics based optimization appears to be the most popular one. However it suffers from contradictory indications of different validation parameters generated from a set of protein models which are predicted against a particular target protein. For example, in one model Ramachandran Score may be quite high making it acceptable, whereas, its potential energy may not be very low mak

SUBMITTER: Pal MK 

PROVIDER: S-EPMC6291994 | biostudies-literature | 2018 Dec

REPOSITORIES: biostudies-literature