Combined approaches from physics, statistics, and computer science for ab initio protein structure prediction: ex unitate vires (unity is strength)?

作者: Marc Delarue , Patrice Koehl

DOI: 10.12688/F1000RESEARCH.14870.1

关键词:

摘要: Connecting the dots among amino acid sequence of a protein, its structure, and function remains central theme in molecular biology, as it would have many applications treatment illnesses related to misfolding or protein instability. As result high-throughput sequencing methods, biologists currently live sequence-rich world. However, our knowledge structure based on experimental data comparatively limited. consequence, prediction has established itself very active field research fill this gap. This field, once thought be reserved for theoretical biophysicists, is constantly reinventing itself, borrowing ideas informed by an ever-increasing assembly scientific domains, from chemistry, (statistical) physics, mathematics, computer science, statistics, bioinformatics, more recently sciences. We review recent progress arising integration knowledge, development specific architecture allow longer timescales physics-based simulations folding advances predicting contacts proteins detection coevolution using large sets aligned sequences.

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