Lorenzo Casalino

This paper investigates how the D614G mutation in SARS-CoV-2 spike protein alters conformational dynamics and allosteric communication, leading to faster RBD opening and increased infectivity.

This study uses molecular dynamics simulations to show how respiratory aerosols create structured microenvironments that influence SARS-CoV-2 stability and spike dynamics.

This study uses molecular dynamics simulations to analyze how mutations in the SHC014-CoV spike protein affect its structural dynamics and allosteric communication, revealing mechanisms that enhance viral entry.

This study uses D-NEMD simulations to show how pH changes induce variant-specific conformational changes in SARS-CoV-2 spike proteins, affecting their stability and entry mechanisms.

This study uses molecular dynamics simulations to show that N-linked glycans at positions N88 and N611 modulate HIV-1 Env tilting motion in a membrane environment.

This study models the full-length APOBEC3B structure and finds that NTD-CTD interactions increase active site opening frequency.

The paper investigates how SARS-like bat coronaviruses evolve enhanced receptor binding and cell entry through specific genetic substitutions.

This study designs stabilized SARS-CoV-2 S2 immunogens using simulation-driven approaches, showing improved stability and immunogenicity.

This paper uses D-NEMD simulations to study how the fatty acid site in the glycosylated SARS-CoV-2 spike modulates its structure and function, revealing allosteric networks and the role of glycans.