Computational Modeling News and Research

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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.

8 Dec 2021

Structure-guided virtual screening identifies novel SARS-CoV-2 Mpro inhibitors

A new paper deals with the identification of an antiviral compound that could help in developing additional drugs to help fight COVID-19.

30 Nov 2021

Vaping linked to dysregulation of mitochondrial genes and immune response genes

Since they hit the market, e-cigarettes have been touted as a safe alternative to tobacco cigarettes for adult smokers.

24 Nov 2021

Researchers discover new gene critical for daily behavioral rhythms

Life is organized on a 24-hour schedule. Central to this regular rhythm is the circadian clock, timekeepers that are present in virtually every organ, tissue and cell type. When a clock goes awry, sleep disruption or a variety of diseases can result.

15 Nov 2021

Atomic-level imaging of artificial proteins

Scientists have created thin, paper-like crystalline sheets using a synthetic, protein-like molecule called a polypeptoid. These nanosheets are only one molecule thick, with the molecules arranged in very specific ways.

29 Oct 2021

Collaborations and co-achievements of network of COST Actions on COVID-19

Addressing societal issues by enabling cross-disciplinary partnerships is an inherent part of a COST Actions' nature. But collaborations don't stop at the gate of these specific networks: multiple COST Actions have joined forces since the beginning of the pandemic to help advance research into COVID-19.

20 Oct 2021

Using AI in biology to unravel how cells fight off invaders

Imagine the day when any tissue or organ can be repaired or the replacements personalized to the patient.

7 Oct 2021

Patient-specific whole-heart computational models provide insights for personalized treatment

Whole-heart ventricular modeling has come a long way in recent years and is currently witnessing the evolution of a variety of computational approaches, especially within the realm of personalized technologies for patient-specific clinical applications.

29 Sep 2021