Computational Modeling News and Research

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Novel plug-and-play multi-organ chip can be customized to the patient

Engineered tissues have become a critical component for modeling diseases and testing the efficacy and safety of drugs in a human context.

27 Apr 2022

New discovery about nature’s ‘high-end machinery’ could have big implications for biology

Working with tiny bacteria, Michigan State University researchers led by Lee Kroos have made a discovery that could have big implications for biology.

26 Apr 2022

Quantum computing to predict RNA secondary structures

Researchers investigate the possibility of using quantum computing to create methods that can more effectively and rapidly solve these structures.

13 Apr 2022

New computational biology method deciphers gut microbiome ‘chatter’ to fight IBD

Around 500,000 people in the UK live with Inflammatory Bowel Disease (IBD), a life-long, chronic condition characterized by sporadic bouts of gut inflammation causing debilitating symptoms.

14 Mar 2022

UH researcher receives $2 million to develop drugs for traditionally undruggable targets in cancer

With a $2 million recruitment grant from the Cancer Prevention and Research Institute of Texas, a University of Houston researcher is setting up a lab to develop drugs that will work on traditionally undruggable targets in cancer.

2 Mar 2022

Discovery provides a more precise picture of the retina's optical properties

Researchers at the National Eye Institute (NEI) have discovered that power-producing organelles in the eye's photoreceptor cells, called mitochondria, function as microlenses that help channel light to these cells' outer segments where it's converted into nerve signals.

2 Mar 2022

A novel consensus-based computational pipeline that reliably predicts hACE2-RBD binding affinity

Researchers developed a novel computational model to predict the binding affinity between the hACE2 receptor and the RBD of S protein of SARS-CoV-2.

17 Feb 2022

Study explores how the electrostatic charge of the SARS-CoV-2 spike protein has changed over time

In a new study, researchers examined the effect of electrostatic changes on the ability of the SARS-CoV-2 Omicron variant to escape immunity.

16 Feb 2022

Group cell movement could be harnessed to stop cancer spread, study suggests

Cells push and pull on surrounding tissue to move in groups as they form organs in an embryo, track down invading bacteria, and become cancerous and spread.

14 Feb 2022

Binding and conformational properties of the SARS-CoV spike protein and hACE2 complex

A new paper in the journal Molecules describes this in molecular terms, comparing SARS-CoV-2 with an earlier highly pathogenic coronavirus, SARS-CoV.

31 Jan 2022

CUNY SPH and West Point receive NIH funding to establish new center for precision nutrition and health

The National Institutes of Health has awarded the CUNY Graduate School of Public Health and Health Policy and the United States Military Academy at West Point an estimated $8.1 million over five years, pending available funds, to establish the world's first artificial intelligence (AI) and computational modeling center for precision nutrition and health.

20 Jan 2022

Exploring the increase in hACE2 binding affinity of SARS-CoV-2 Omicron variant

A new study provides detailed information about the molecular level binding interaction pattern of the SARS-CoV-2 Omicron and wt variant with the hACE2 receptor

31 Dec 2021

Infect, replicate, and rapidly mutate: Computational virus modeling study

A new bioRxiv* preprint study led by Barbara A Jones of IBM Research-Almaden in San Jose, California, used computational modeling to investigate how viruses rapidly mutate as well as how they respond or adapt to different host conditions. They observed a range of behaviors from glassy dynamics, bimodal quasispecies distributions, and periodic steady states.

22 Dec 2021

Changes in white matter connections during development linked to psychosis risk

Brain imaging studies have shown structural and functional abnormalities in people with psychosis in the connections between the cortex and the thalamus, the major waystation for incoming sensory information and a critical regulator of cortical activity.

22 Dec 2021

T cell responses remain broadly robust against Omicron variant of SARS-CoV-2

A new study highlights the significance of robust T cell responses in preventing severe omicron infections.

16 Dec 2021

Structure of human receptor and Omicron variant

Researchers studied the complex structure of the receptor-binding domain of the omicron variant with the human host receptor angiotensin-converting enzyme 2.

15 Dec 2021

Salk study could help find better treatment options for colorectal cancer patients

Patients with colorectal cancer were among the first to receive targeted therapies. These drugs aim to block the cancer-causing proteins that trigger out-of-control cell growth while sparing healthy tissues.

14 Dec 2021

Glycans strengthen interaction between viral spike proteins and ACE2 receptors on host cells

A new study shows that the ACE2 and RBD of coronavirus spike fragments have different binding strengths and dissociation rates when they are glycosylated and non-glycosylated.

13 Dec 2021

AlphaFold AI predicts SARS-CoV-2 omicron variant might not evade antibody neutralization

In a new study, scientists have computationally predicted the structure of the Omicron spike RBD from available sequences and explored the dynamics of antigen-antibody interactions.

8 Dec 2021

Study analyzes the contribution of AI to cancer patient care and vaccine design

Artificial Intelligence/Machine Learning (AI/ML) is the development of computer systems that are able to perform tasks that would normally require human intelligence. AI/ML is used by people every day, for example, while using smart home devices or digital voice assistants.