Finding the needle in the haystack: towards solving the protein-folding problem computationally.

ABSTRACT: Prediction of protein tertiary structures from amino acid sequence and understanding the mechanisms of how proteins fold, collectively known as "the protein folding problem," has been a grand challenge in molecular biology for over half a century. Theories have been developed that provide us with an unprecedented understanding of protein folding mechanisms. However, computational simulation of protein folding is still difficult, and prediction of protein tertiary structure from amino acid sequence is an unsolved problem. Progress toward a satisfying solution has been slow due to challenges in sampling the vast conformational space and deriving sufficiently accurate energy functions. Nevertheless, several techniques and algorithms have been adopted to overcome these challenges, and the last

SUBMITTER: Li B 

PROVIDER: S-EPMC6790072 | biostudies-literature | 2018 Feb

REPOSITORIES: biostudies-literature