Deep learning in protein structural modeling and design

W Gao, SP Mahajan, J Sulam, JJ Gray - Patterns, 2020 - cell.com
Deep learning is catalyzing a scientific revolution fueled by big data, accessible toolkits, and
powerful computational resources, impacting many fields, including protein structural …

The OPEP protein model: from single molecules, amyloid formation, crowding and hydrodynamics to DNA/RNA systems

F Sterpone, S Melchionna, P Tuffery… - Chemical Society …, 2014 - pubs.rsc.org
The OPEP coarse-grained protein model has been applied to a wide range of applications
since its first release 15 years ago. The model, which combines energetic and structural …

Toward optimal fragment generations for ab initio protein structure assembly

D Xu, Y Zhang - Proteins: Structure, Function, and …, 2013 - Wiley Online Library
Fragment assembly using structural motifs excised from other solved proteins has shown to
be an efficient method for ab initio protein‐structure prediction. However, how to construct …

Biophysical prediction of protein–peptide interactions and signaling networks using machine learning

JM Cunningham, G Koytiger, PK Sorger… - Nature methods, 2020 - nature.com
In mammalian cells, much of signal transduction is mediated by weak protein–protein
interactions between globular peptide-binding domains (PBDs) and unstructured peptidic …

Biotite: a unifying open source computational biology framework in Python

P Kunzmann, K Hamacher - BMC bioinformatics, 2018 - Springer
Background As molecular biology is creating an increasing amount of sequence and
structure data, the multitude of software to analyze this data is also rising. Most of the …

A hidden markov model derived structural alphabet for proteins

AC Camproux, R Gautier, P Tuffery - Journal of molecular biology, 2004 - Elsevier
Understanding and predicting protein structures depends on the complexity and the
accuracy of the models used to represent them. We have set up a hidden Markov model that …

Reduced models of proteins and their applications

A Kolinski, J Skolnick - Polymer, 2004 - Elsevier
Reduced computer modeling of proteins now has a history of about 30 years. In spite of the
enormous increase in computing abilities, reduced models are still very important tools for …

On the use of low-frequency normal modes to enforce collective movements in refining macromolecular structural models

M Delarue, P Dumas - … of the National Academy of Sciences, 2004 - National Acad Sciences
As more and more structures of macromolecular complexes get solved in different
conditions, it has become apparent that flexibility is an inherent part of their biological …

Protein flexibility in the light of structural alphabets

P Craveur, AP Joseph, J Esque, TJ Narwani… - Frontiers in molecular …, 2015 - frontiersin.org
Protein structures are valuable tools to understand protein function. Nonetheless, proteins
are often considered as rigid macromolecules while their structures exhibit specific flexibility …

Sampling realistic protein conformations using local structural bias

T Hamelryck, JT Kent, A Krogh - PLoS Computational Biology, 2006 - journals.plos.org
The prediction of protein structure from sequence remains a major unsolved problem in
biology. The most successful protein structure prediction methods make use of a divide-and …