2024 Research Highlights
Synthesis of new GS-6207 subtypes for targeting HIV-1 capsid protein
An effective approach for synthesizing inhibitors for HIV-1 capsid is presented.
PubMed PMID: 38612545
PubMedCentral PMCID: PMC11012105
Overcoming resolution attenuation during tilted cryo-EM data collection
Methods are presented for optimizing the orientation of samples in cryoelectron microscopy to improve reconstructions.
PubMed PMID: 38195598
PubMedCentral PMCID: PMC10776679
Cooperative membrane binding of HIV-1 matrix proteins
Long simulations explore the changing interactions of matrix proteins as they interact with the viral membrane.
PubMed PMID: 38477117
PubMedCentral PMCID: PMC10962350
Molecular dynamics simulations of HIV-1 matrix-membrane interactions at different stages of viral maturation
Simulations reveal the atomic details of multiple lipid binding sites in HIV-1 matrix protein.
PubMed PMID: 38196190
PubMedCentral PMCID: PMC10870173
Conformational transitions of the HIV-1 Gag polyprotein upon multimerization and gRNA binding
Computational modeling explores changes in conformation as HIV-1 Gag protein assembles.
PubMed PMID: 37978800
A tag-free platform for synthesis and screening of cyclic peptide libraries
The PEPTIC methodology streamlines the discovery of therapeutic peptides.
PubMed PMID: 38529717
HIV-1 capsid uncoating Is a multistep process that proceeds through defect formation followed by disassembly of the capsid lattice
Fluorescently labeled virus capsids provide evidence that uncoating occurs inside the nucleus.
PubMed PMID: 38241476
PubMedCentral PMCID: PMC10832047
Structural basis of branching during RNA splicing
Cryoelectron microscopy reveals an early step in splicing of introns from messenger RNA.
PubMed PMID: 38057551
PubMedCentral PMCID: PMC10968580
HIV-1 capsid shape, orientation, and entropic elasticity regulate translocation into the nuclear pore complex
Coarse grain modeling is used to explore how capsids with different shapes are transported through nuclear pores.
PubMed PMID: 38241438
PubMedCentral PMCID: PMC10823262
Synergy of machine learning and density functional theory calculations for predicting experimental Lewis base affinity and Lewis polybase binding atoms
Advanced machine learning methods are developed to predict the affinity of inhibitors to protein targets.
PubMed PMID: 38500409
Identification of clickable HIV-1 capsid-targeting probes for viral replication inhibition
B-HIVE researchers discover new inhibitors that form covalent bonds with HIV-1 capsid.
PubMed PMID: 38518746
Elucidating the molecular determinants of the binding modes of a third-generation HIV-1 integrase strand transfer inhibitor: The importance of side chain and solvent reorganization
A novel molecular dynamics method reveals the molecular details of how HIV-1 integrase recognizes strand transfer inhibitors.
Sun Q, Biswas A, Lyumkis D, Levy R, Deng N. Viruses. 2024 Jan 2;16(1):76. doi: 10.3390/v16010076.
PubMed PMID: 38257776
Bipartite viral RNA genome heterodimerization influences genome packaging and virion thermostability
A next generation sequencing approach explores the interaction of RNA in viruses that encode their genome in multiple strands.
Zhou Y, Routh AL. J Virol. 2024 Mar 19;98(3):e0182023. doi: 10.1128/jvi.01820-23. Epub 2024 Feb 8.
PubMed PMID: 38329331
PubMedCentral PMCID: PMC10949487
