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Viral Proteins

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A protein folding robot driven by a self-taught agent.

Bio Systems
This paper presents a computer simulation of a virtual robot that behaves as a peptide chain of the Hemagglutinin-Esterase protein (HEs) from human coronavirus. The robot can learn efficient protein folding policies by itself and then use them to sol...

Utilizing Computational Machine Learning Tools to Understand Immunogenic Breadth in the Context of a CD8 T-Cell Mediated HIV Response.

Frontiers in immunology
Predictive models are becoming more and more commonplace as tools for candidate antigen discovery to meet the challenges of enabling epitope mapping of cohorts with diverse HLA properties. Here we build on the concept of using two key parameters, div...

A protocol for adding knowledge to Wikidata: aligning resources on human coronaviruses.

BMC biology
BACKGROUND: Pandemics, even more than other medical problems, require swift integration of knowledge. When caused by a new virus, understanding the underlying biology may help finding solutions. In a setting where there are a large number of loosely ...

DeepTracer for fast de novo cryo-EM protein structure modeling and special studies on CoV-related complexes.

Proceedings of the National Academy of Sciences of the United States of America
Information about macromolecular structure of protein complexes and related cellular and molecular mechanisms can assist the search for vaccines and drug development processes. To obtain such structural information, we present DeepTracer, a fully aut...

Prediction of African Swine Fever Virus Inhibitors by Molecular Docking-Driven Machine Learning Models.

Molecules (Basel, Switzerland)
African swine fever virus (ASFV) causes a highly contagious and severe hemorrhagic viral disease with high mortality in domestic pigs of all ages. Although the virus is harmless to humans, the ongoing ASFV epidemic could have severe economic conseque...

DeepEMhancer: a deep learning solution for cryo-EM volume post-processing.

Communications biology
Cryo-EM maps are valuable sources of information for protein structure modeling. However, due to the loss of contrast at high frequencies, they generally need to be post-processed to improve their interpretability. Most popular approaches, based on g...

Predicting HIV drug resistance using weighted machine learning method at target protein sequence-level.

Molecular diversity
Acquired immune deficiency syndrome (AIDS) is a fatal disease caused by human immunodeficiency virus (HIV). Although 23 different drugs have been available, the treatment of AIDS remains challenging because the virus mutates very quickly which can le...

ModFOLD8: accurate global and local quality estimates for 3D protein models.

Nucleic acids research
Methods for estimating the quality of 3D models of proteins are vital tools for driving the acceptance and utility of predicted tertiary structures by the wider bioscience community. Here we describe the significant major updates to ModFOLD, which ha...

Machine learning for phytopathology: from the molecular scale towards the network scale.

Briefings in bioinformatics
With the increasing volume of high-throughput sequencing data from a variety of omics techniques in the field of plant-pathogen interactions, sorting, retrieving, processing and visualizing biological information have become a great challenge. Within...

Current status and future perspectives of computational studies on human-virus protein-protein interactions.

Briefings in bioinformatics
The protein-protein interactions (PPIs) between human and viruses mediate viral infection and host immunity processes. Therefore, the study of human-virus PPIs can help us understand the principles of human-virus relationships and can thus guide the ...