A. Terenzi

This study uses multiscale molecular modeling to investigate the mechanism of TMPRSS2 inhibition by Nafamostat, revealing its free-energy profile and structural dynamics.

The paper determines the structure of a guanine-quadruplex in SARS-CoV-2 RNA using molecular modeling and experimental validation, showing pyridostatin stabilizes it more than another G4 sequence.

The paper predicts the 3D structure of the c-KIT promoter's G4s and shows how their coupling affects structure formation and drug discovery potential.

This study investigates how DARPIns recognize G-quadruplexes through structural complementarity rather than sequence similarity, revealing a charged hollow region in DARPIns that hosts G4 structures.

The paper reports the structure of SARS-CoV-2 5-UTR RNA complexed with OAS1, revealing how the SL1 region enhances specific interactions with the enzyme.

The paper shows that guanine-quadruplexes remain structurally stable even with two strand breaks, unlike B-DNA, suggesting an evolutionary mechanism to mitigate ionizing radiation damage.

The paper calculates the first G4 structure of the RG-1 RNA sequence in SARS-CoV-2 genome using multiscale modeling and validates it with circular dichroism spectra, showing its stability and potential interaction with inhibitory ligands.

The paper investigates the structural stability of telomeric G-quadruplexes in the presence of oxidative DNA lesions using experimental and computational methods.

This study investigates how RNA guanine quadruplexes interact with the SARS Unique Domain using molecular dynamics simulations to understand their role in viral infection and potential therapeutic targeting.