StructureDistiller: Structural relevance scoring identifies the most informative entries of a contact map

S Bittrich, M Schroeder, D Labudde - Scientific reports, 2019 - nature.com
Protein folding and structure prediction are two sides of the same coin. Contact maps and
the related techniques of constraint-based structure reconstruction can be considered as …

The Amino Acid Sequences of Proteins Determine Folding and Non-folding

R Dods, R Dods - Concepts in Bioscience Engineering, 2019 - Springer
Abstract This chapter (The Amino Acid Sequences of Proteins Determine Folding and Non-
folding) continues where Chap. 1 left off. Amino acid sequences determine the folded …

Understanding the Structural and Functional Importance of Early Folding Residues in Protein Structures

S Bittrich - 2019 - tud.qucosa.de
Abstract (EN) Proteins adopt three-dimensional structures which serve as a starting point to
understand protein function and their evolutionary ancestry. It is unclear how proteins fold in …

StructureDistiller: Structural relevance scoring increases resilience of contact maps to false positive predictions

S Bittrich, M Schroeder, D Labudde - bioRxiv, 2019 - biorxiv.org
Protein folding and structure prediction are two sides of the same coin. We propose contact
maps and the related techniques of constraint-based structure reconstruction as unifying …

A Data-Driven Perspective on Molecular Coarse-Graining

L Boninsegna - 2019 - search.proquest.com
Coarse-graining is an ubiquitous concept in the sciences, and denotes a variety of diverse
methods to consistently formulate a low resolution model of a physical system. If detailed …

Exploring protein folding mechanisms to enable the protein structure prediction of previously intractable targets

C West - 2019 - ora.ox.ac.uk
The prediction of a protein structure from its amino acid sequence is one of the grand
challenges of computational biology. In this thesis, we describe extensions to our …