Computational Modeling News and Research

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Designer SARS-CoV-2 RBD vaccine produces dramatically improved antibody response in preclinical trials

The importance of computational modeling in the prediction of the course of the ongoing COVID-19 pandemic, as well as evaluating multiple potential drug leads, has never been more clear. Now, a new study describes a set of designer vaccine antigens that may improve vaccine stability as well as enhance the neutralizing antibody response.

13 May 2021

Evidence that elevated blood glucose is a significant risk factor for severe COVID-19

The literature analysis pointed to elevated blood glucose levels as a leading facilitator in the progression of COVID-19. Evidence linking elevated glucose to various steps in the life cycle of the virus and presentation of COVID-19 symptoms were also found.

3 May 2021

Cleaning frequency key to limiting SARS-CoV-2 spread at theme parks

A new preprint research paper provides some insights into how this may be done using computational modeling. The study, which appeared on the medRxiv server, deals with the mitigation strategies that must be implemented in order to contain the virus.

22 Apr 2021

Markers of fear recall differ between sexes, but in a hormone-dependent manner

A new study shows that markers of fear recall differ between men and women, but in a hormone-dependent manner.

16 Apr 2021

Modeling study suggests how different SARS-CoV-2 mutations prevent antibody binding

This suggests a cocktail of antibodies will work better at neutralizing the virus than a single antibody alone. In a study published in the bioRxiv* preprint server, researchers report the structure of binding complexes of the different classes of antibodies to the spike RBD using computational modeling, which may also help explain how the virus generates escape mutations.

16 Apr 2021

Discovery of cryptic pocket in SARS-CoV-2 may lead to pan-coronavirus therapies

A new research paper published in the Biophysical Journal describes a novel binding pocket used by a viral non-structural protein (nsp) to form an activated complex with its partner nsp. In so doing, it may have revealed a common target that may be useful in the development of a broad-spectrum antiviral drug against all coronaviruses.

1 Apr 2021

Rare genetic variant may explain severe COVID-19 in young healthy male patients

A recent study describes the association of rare alleles in a specific gene with severe COVID-19 in young male patients.

29 Mar 2021

Study shows how migrating cells interact in the body

By offering a microscopic "tightrope" to cells, Virginia Tech and Johns Hopkins University researchers have brought new insights to the way migrating cells interact in the body.

26 Mar 2021

Modeling study predicts SARS-CoV-2 variants with high receptor binding affinity

A new study adds to the sum of knowledge about SARS-CoV-2, with respect to its natural and biologically significant mutations, using computational modeling of the virus-receptor interactions. Understanding how viral mutations affect the virus-host interactions is crucial for shaping proper strategies to control the virus.

24 Mar 2021

New covalent and non-covalent SARS-CoV-2 inhibitors discovered in silico

A new study describes the use of a combination of virtual and experimental screening protocols to identify potential inhibitors of the virus, which could lead to rapid drug development.

24 Mar 2021

Llama-derived nanobodies show neutralizing activity against SARS-CoV-2 variants of concern in vitro

A new study reports the development of nanoantibodies (nAbs) – also called or nanobodiesTM or single-domain antibodies – that effectively bind the SARS-CoV-2 spike protein from the ancestral Wuhan variant as well as the recently detected UK and South African variants.

19 Feb 2021

Researchers unlock mysteries of protein that plays key regulatory role in cancer therapies

Researchers from the University of Virginia, Lehigh University, and the Massachusetts Institute of Technology are pooling their respective labs' expertise to unlock the mysteries of a protein that plays a critical regulatory role in human health and disease. Knowing how the protein works could lead to improved therapies for cancers and other diseases.

5 Feb 2021

SARS-CoV-2 N501Y mutation adversely affects cellular immune response

Among these is the B.1.1.7 SARS-CoV-2 variant, with its characteristic N501Y mutation. A new preprint on the bioRxiv server reports the impact of this mutation on CD4 T cell responses, including antigen presentation on cells expressing Major Histocompatibility Complex (MHC) class II molecules.

4 Feb 2021

Why SARS-CoV-2 B.1.1.7 is more virulent

A new preprint research paper by scientists from Sweden and India attempts to provide a preliminary answer to these questions using computational modeling. The research, which appears on the bioRxiv* server, predicts increased virulence with the new variant. If validated, this could help public health authorities prepare for new variants' possible impact as they emerge.

2 Feb 2021

Researchers create first usable computational model of entire SARS-COV-2 virus

Researchers at the University of Chicago have created the first usable computational model of the entire virus responsible for COVID-19-;and they are making this model widely available to help advance research during the pandemic.

8 Jan 2021

In-silico modeling provides new understanding of immune response to SARS-CoV-2

The COVID-19 pandemic caused by the novel severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) has crippled global healthcare systems and triggered an economic crisis in many countries. The pandemic is not showing signs of a slowdown even in 2021 with a new and more infectious variant of the virus wreaking havoc in the UK and many other parts of the world.

6 Jan 2021

Groundbreaking technology could revolutionize the dairy industry

Might a new technological development of researchers from Tel Aviv University soon revolutionize the dairy products we consume?

6 Jan 2021

Computer simulation can help gauge the presence, severity of behavioral problems

The introduction of computer simulation to the identification of symptoms in children with attention deficit/hyperactivity disorder (ADHD) has potential to provide an additional objective tool to gauge the presence and severity of behavioral problems, Ohio State University researchers suggest in a new publication.

3 Jan 2021

Researchers use fruit fly model to understand COVID-19-related neurological complications

Researchers claim to have reproduced disease mechanisms due to coronavirus disease 2019 (COVID-19) in the fruit fly, Drosophila, while also providing proof of the efficacy of one drug against these disease processes. If validated, these findings represent a new understanding of how the virus causes neurological symptoms that could help develop more effective therapies.

23 Dec 2020

New model of brain activity could inform the design of improved artificial intelligence systems

Getting computers to "think" like humans is the holy grail of artificial intelligence, but human brains turn out to be tough acts to follow. The human brain is a master of applying previously learned knowledge to new situations and constantly refining what's been learned.

17 Dec 2020