[go: up one dir, main page]

Basu et al., 2021 - Google Patents

Plausible blockers of Spike RBD in SARS-CoV2—Molecular design and underlying interaction dynamics from high-level structural descriptors

Basu et al., 2021

View HTML
Document ID
8547865167952607320
Author
Basu S
Chakravarty D
Bhattacharyya D
Saha P
Patra H
Publication year
Publication venue
Journal of Molecular Modeling

External Links

Snippet

COVID-19 is characterized by an unprecedented abrupt increase in the viral transmission rate (SARS-CoV-2) relative to its pandemic evolutionary ancestor, SARS-CoV (2003). The complex molecular cascade of events related to the viral pathogenicity is triggered by the …
Continue reading at link.springer.com (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
    • G06F19/10—Bioinformatics, i.e. methods or systems for genetic or protein-related data processing in computational molecular biology
    • G06F19/18—Bioinformatics, i.e. methods or systems for genetic or protein-related data processing in computational molecular biology for functional genomics or proteomics, e.g. genotype-phenotype associations, linkage disequilibrium, population genetics, binding site identification, mutagenesis, genotyping or genome annotation, protein-protein interactions or protein-nucleic acid interactions
    • 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
    • G06F19/22—Bioinformatics, i.e. methods or systems for genetic or protein-related data processing in computational molecular biology for sequence comparison involving nucleotides or amino acids, e.g. homology search, motif or SNP [Single-Nucleotide Polymorphism] discovery or sequence alignment
    • 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
    • G06F19/28—Bioinformatics, i.e. methods or systems for genetic or protein-related data processing in computational molecular biology for programming tools or database systems, e.g. ontologies, heterogeneous data integration, data warehousing or computing architectures
    • 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
    • G06F19/30—Medical informatics, i.e. computer-based analysis or dissemination of patient or disease data
    • G06F19/34—Computer-assisted medical diagnosis or treatment, e.g. computerised prescription or delivery of medication or diets, computerised local control of medical devices, medical expert systems or telemedicine
    • 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
    • G06F19/24—Bioinformatics, i.e. methods or systems for genetic or protein-related data processing in computational molecular biology for machine learning, data mining or biostatistics, e.g. pattern finding, knowledge discovery, rule extraction, correlation, clustering or classification
    • G—PHYSICS
    • G06—COMPUTING; CALCULATING; COUNTING
    • G06F—ELECTRICAL DIGITAL DATA PROCESSING
    • G06F3/00—Input arrangements for transferring data to be processed into a form capable of being handled by the computer; Output arrangements for transferring data from processing unit to output unit, e.g. interface arrangements
    • G06F3/01—Input arrangements or combined input and output arrangements for interaction between user and computer

Similar Documents

Publication Publication Date Title
Sanami et al. Design of a multi-epitope vaccine against SARS-CoV-2 using immunoinformatics approach
Kim et al. Differential interactions between human ACE2 and spike RBD of SARS-CoV-2 variants of concern
Oli et al. Immunoinformatics and vaccine development: an overview
Basu et al. Plausible blockers of Spike RBD in SARS-CoV2—Molecular design and underlying interaction dynamics from high-level structural descriptors
Mahmud et al. Designing a multi-epitope vaccine candidate to combat MERS-CoV by employing an immunoinformatics approach
US12374421B2 (en) Bioinformatic processes for determination of peptide binding
Potocnakova et al. An introduction to B‐cell epitope mapping and in silico epitope prediction
Pavlova et al. Machine learning reveals the critical interactions for SARS-CoV-2 spike protein binding to ACE2
Ovchinnikov et al. Role of framework mutations and antibody flexibility in the evolution of broadly neutralizing antibodies
Di Paola et al. The discovery of a putative allosteric site in the SARS-CoV-2 spike protein using an integrated structural/dynamic approach
Verkhivker et al. Dynamic network modeling of allosteric interactions and communication pathways in the SARS-CoV-2 spike trimer mutants: Differential modulation of conformational landscapes and signal transmission via cascades of regulatory switches
Ackerman et al. Systems serology for evaluation of HIV vaccine trials
Luan et al. Insights into SARS-CoV-2’s mutations for evading human antibodies: sacrifice and survival
Robert et al. Induction of broadly neutralizing antibodies in germinal centre simulations
Aziz et al. Contriving multi-epitope vaccine ensemble for monkeypox disease using an immunoinformatics approach
Triveri et al. SARS-CoV-2 spike protein mutations and escape from antibodies: a computational model of epitope loss in variants of concern
Singh et al. Translational vaccinomics and structural filtration algorithm to device multiepitope vaccine for catastrophic monkeypox virus
Golcuk et al. Binding mechanism of neutralizing nanobodies targeting SARS-CoV-2 spike glycoprotein
Dokainish et al. Structural effects of spike protein D614G mutation in SARS-CoV-2
Balasubramanian et al. Importance of V3 loop flexibility and net charge in the context of co-receptor recognition. A molecular dynamics study on HIV gp120
Kumar et al. Vaccine formulation and optimization for human herpes virus-5 through an immunoinformatics framework
Kandeel et al. Omicron variant receptor-binding domain phylogenetics and molecular dynamics
Renzi et al. Engineering an ACE2-derived fragment as a decoy for novel SARS-CoV-2 virus
Jahantigh et al. In silico identification of epitope-based vaccine candidates against HTLV-1
Zhang et al. Combined antibodies evusheld against the sars-cov-2 omicron variants ba. 1.1 and ba. 5: immune escape mechanism from molecular simulation