Large-scale computational molecular models provide scientists a means to investigate the
effect of microscopic details on emergent mesoscopic behavior. Elucidating the relationship …

After cell entry, human immunodeficiency virus type 1 (HIV-1) replication involves reverse
transcription of the RNA genome, nuclear import of the subviral complex without nuclear …

The signal transducer and activator of transcription (STAT) 1 protein plays a key role in the
immune response against viruses and other pathogens by transducing, in the nucleus, the …

The severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) is the causative agent
of the COVID-19 pandemic. Computer simulations of complete viral particles can provide …

The capsid (CA) protein of the human immunodeficiency virus type 1 (HIV-1) is an essential
structural component of a virion and facilitates many crucial life cycle steps through …

Abstract HIV-1 capsid (CA) stability is important for viral replication. E45A and P38A
mutations enhance and reduce core stability, thus impairing infectivity. Second-site …

Coarse-grained (CG) models facilitate an efficient exploration of complex systems by
reducing the unnecessary degrees of freedom of the fine-grained (FG) system while …

Nuclear import and uncoating of the viral capsid are critical steps in the HIV-1 life cycle that
serve to transport and release genomic material into the nucleus. Viral core import involves …

Viral outbreaks remain a serious threat to human and animal populations and motivate the
continued development of antiviral drugs and vaccines, which in turn benefits from a …

Herpesviruses are DNA viruses and the cause of diseases ranging from mild skin conditions
to severe brain diseases. Mammalian antiviral host defense comprises an array of …