[go: up one dir, main page]
More Web Proxy on the site http://driver.im/

Pak et al., 2021 - Google Patents

Preservation of HIV-1 Gag helical bundle symmetry by bevirimat is central to maturation inhibition

Pak et al., 2021

View HTML
Document ID
7400503787425273188
Author
Pak A
Purdy M
Yeager M
Voth G
Publication year
Publication venue
Journal of the American Chemical Society

External Links

Snippet

The assembly and maturation of human immunodeficiency virus type 1 (HIV-1) require proteolytic cleavage of the Gag polyprotein. The rate-limiting step resides at the junction between the capsid protein CA and spacer peptide 1, which assembles as a six-helix bundle …
Continue reading at pubs.acs.org (HTML) (other versions)

Classifications

    • G—PHYSICS
    • G06—COMPUTING; CALCULATING; COUNTING
    • G06F—ELECTRICAL DIGITAL DATA PROCESSING
    • G06F19/00—Digital computing or data processing equipment or methods, specially adapted for specific applications
    • G06F19/10—Bioinformatics, i.e. methods or systems for genetic or protein-related data processing in computational molecular biology
    • G06F19/16—Bioinformatics, i.e. methods or systems for genetic or protein-related data processing in computational molecular biology for molecular structure, e.g. structure alignment, structural or functional relations, protein folding, domain topologies, drug targeting using structure data, involving two-dimensional or three-dimensional structures
    • G—PHYSICS
    • G06—COMPUTING; CALCULATING; COUNTING
    • G06F—ELECTRICAL DIGITAL DATA PROCESSING
    • G06F19/00—Digital computing or data processing equipment or methods, specially adapted for specific applications
    • G06F19/70—Chemoinformatics, i.e. data processing methods or systems for the retrieval, analysis, visualisation, or storage of physicochemical or structural data of chemical compounds
    • G06F19/706—Chemoinformatics, i.e. data processing methods or systems for the retrieval, analysis, visualisation, or storage of physicochemical or structural data of chemical compounds for drug design with the emphasis on a therapeutic agent, e.g. ligand-biological target interactions, pharmacophore generation

Similar Documents

Publication Publication Date Title
Nguyen et al. Does SARS-CoV-2 bind to human ACE2 more strongly than does SARS-CoV?
Chowdhury et al. Antiviral peptides as promising therapeutics against SARS-CoV-2
Knapp et al. Avoiding false positive conclusions in molecular simulation: the importance of replicas
Heifetz et al. The Fragment molecular orbital method reveals new insight into the chemical nature of GPCR–ligand interactions
Pak et al. Preservation of HIV-1 Gag helical bundle symmetry by bevirimat is central to maturation inhibition
Taka et al. Critical interactions between the SARS-CoV-2 spike glycoprotein and the human ACE2 receptor
Patargias et al. Protein− protein interactions: modeling the hepatitis C virus ion channel p7
Cai et al. Differential flap dynamics in wild-type and a drug resistant variant of HIV-1 protease revealed by molecular dynamics and NMR relaxation
Wakchaure et al. Revealing the inhibition mechanism of RNA-dependent RNA polymerase (RdRp) of SARS-CoV-2 by remdesivir and nucleotide analogues: A molecular dynamics simulation study
Barroso da Silva et al. Electrostatic features for the receptor binding domain of SARS-COV-2 wildtype and its variants. Compass to the severity of the future variants with the charge-rule
Machado et al. MD simulations of viruslike particles with supra CG solvation affordable to desktop computers
Emileh et al. A model of peptide triazole entry inhibitor binding to HIV-1 gp120 and the mechanism of bridging sheet disruption
Cong et al. Anchor-locker binding mechanism of the coronavirus spike protein to human ACE2: insights from computational analysis
Cau et al. Molecular dynamics simulations and structural analysis of Giardia duodenalis 14-3-3 protein–protein interactions
Zhou et al. Exploring the early stages of the pH‐induced conformational change of influenza hemagglutinin
Pak et al. Inositol hexakisphosphate (IP6) accelerates immature HIV-1 Gag protein assembly toward kinetically trapped morphologies
Coderc de Lacam et al. When the dust has settled: calculation of binding affinities from first principles for SARS-CoV-2 variants with quantitative accuracy
Tenchov et al. Intrinsically disordered proteins: Perspective on COVID-19 infection and drug discovery
Hadi-Alijanvand et al. Studying the effects of ACE2 mutations on the stability, dynamics, and dissociation process of SARS-CoV-2 S1/hACE2 complexes
Wang et al. In silico discovery of small molecule modulators targeting the Achilles’ heel of SARS-CoV-2 spike protein
de Campos et al. Targeting SARS-CoV-2 receptor binding domain with stapled peptides: an in silico study
Hu et al. Metal binding mediated conformational change of XPA protein: a potential cytotoxic mechanism of nickel in the nucleotide excision repair
Li et al. Novel cyclo-peptides inhibit Ebola pseudotyped virus entry by targeting primed GP protein
Bignon et al. Modeling the Enzymatic Mechanism of the SARS-CoV-2 RNA-Dependent RNA Polymerase by DFT/MM-MD: An Unusual Active Site Leading to High Replication Rates
Lin et al. Refolding Dynamics of gp41 from Pre-fusion to Pre-hairpin States during HIV-1 Entry