C. D. Maranas

Multi-organ Metabolic Model of Zea mays Connects Temperature Stress with Thermodynamics-Reducing Power-Energy Generation Axis

This study constructs a multi-organ maize metabolic model to analyze temperature stress responses, identifying a thermodynamics-reducing power-energy generation axis that differentiates heat and cold stress.

A CNN model for predicting binding affinity changes between SARS-CoV-2 spike RBD variants and ACE2 homologues

The paper introduces a CNN model to predict RBD-hACE2 binding affinity changes for SARS-CoV-2 variants, achieving high accuracy and identifying variants with improved binding affinity.

Multiple spillovers and onward transmission of SARS-Cov-2 in free-living and captive White-tailed deer

SARS-CoV-2 was detected in one-third of sampled white-tailed deer in Iowa between September 2020 and January of 2021 that likely resulted from multiple human-to-deer spillover and deer-to-deer transmission events.

Computational prediction of the effect of amino acid changes on the binding affinity between SARS-CoV-2 spike protein and the human ACE2 receptor

The paper predicts the effect of amino acid changes on SARS-CoV-2 spike protein binding to hACE2 using molecular dynamics and a neural network, achieving 82.2% classification accuracy and 0.69 correlation with experimental data.

De novo design of high-affinity antibody variable regions (Fv) against the SARS-CoV-2 spike protein

This paper designs high-affinity antibodies against SARS-CoV-2 spike protein using computational methods and reports on top designs with balanced affinity and immunogenicity.

Biophysical characterization of the SARS-CoV-2 spike protein binding with the ACE2 receptor and implications for infectivity

This study computationally analyzes the binding of SARS-CoV-2 spike protein RBD to human ACE2 and related species, finding stronger binding in SARS-CoV-2 compared to SARS-CoV-1 and RaTG13, with implications for infectivity and viral origin.

Recombination and lineage-specific mutations linked to the emergence of SARS-CoV-2

This paper identifies an ancestral recombination event in the RBD of SARS-CoV and SARS-CoV-2 that increased hACE2 binding affinity, suggesting SARS-like viruses may have pandemic potential.