Adam T Zemla

This study shows selenium deficiency in mice increases viral mutation diversity and generates mutations seen in SARS-CoV-2 pandemic variants.

The paper shows that passaging SARS-CoV-2 viral stocks under antiserum selection pressure increases genetic diversity and antibody escape mutations, making them more representative of circulating viruses.

This paper introduces a ligand-based featurization method to map human protein pockets and identify potential drug interactions by clustering proteins and evaluating compound associations.

This paper introduces a computational pipeline to identify and characterize binding sites and interacting chemotypes in SARS-CoV-2 proteins using structural modeling and cheminformatic techniques.

PDBspheres identifies and evaluates structural similarities in protein regions near ligands using a library of over 2 million spheres and the LGA algorithm.

The paper predicts the SARS-CoV-2 Omicron variant has higher ACE-2 binding affinity and reduced neutralizing antibody binding compared to Delta and other variants using computational methods.

This paper uses machine learning and supercomputing to design antibodies targeting SARS-CoV-2, generating 20 antibody sequences with improved binding energy to the RBD.