Leveraging Artificial Intelligence to Expedite Antibody Design and Enhance Antibody–Antigen InteractionsReview Published on 2024-02-152024-09-05 Journal: Bioengineering [Category] update2024, [키워드] antibody artificial intelligence computational modeling and simulations computer-aided drug discovery deep learning Protein–protein interface Rosetta therapeutic design [DOI] 10.3390/bioengineering11020185 PMC 바로가기 [Article Type] Review
Computational pipeline provides mechanistic understanding of Omicron variant of concern neutralizing engineered ACE2 receptor trapsArticle Published on 2023-02-172024-09-05 Journal: Structure (London, England : 1993) [Category] update2024, [키워드] ACE2 receptor traps cryo-EM Protein therapeutics Pseudovirus neutralization Rosetta SARS-CoV-2 Omicron variant spike [DOI] 10.1016/j.str.2023.01.009 PMC 바로가기 [Article Type] Article
Epistasis at the SARS-CoV-2 Receptor-Binding Domain Interface and the Propitiously Boring Implications for Vaccine EscapeSARS-CoV-2 수용체 결합 도메인 인터페이스에서의 상위성과 백신 탈출에 대한 지루한 의미Article Published on 2022-04-262022-09-11 Journal: mBio [Category] COVID19(2023년), MERS, SARS, 변종, 진단, [키워드] ACE2 acute respiratory syndrome acute respiratory syndrome coronavirus acute respiratory syndrome coronavirus 2 antibody appear approach binding site closely resemble Complete coronavirus COVID-19 pandemic Delta delta variant destabilize dominance Effect Efficacy emergence epistasis escape escape mutants escape mutation Evolution Gamma Gamma variant host receptor include Interaction interface majority multiple mutation mutants Mutation mutations neutralizing antibody omicron Omicron variant Omicron variants overlap Protein protein structure protein structure modeling. RBD RBD mutation RBD mutations RBD-ACE2 Receptor-binding domain reduce reduced repertoire respiratory resulting risk Rosetta SARS-CoV-2 SARS-CoV-2 spike SARS-CoV-2 virus severe acute respiratory syndrome Coronavirus single mutant Spike protein the RBD the receptor-binding domain the SARS-CoV-2 the spike protein unlikely Vaccine vaccine efficacy Vaccines variant variants variants of SARS-CoV-2 virus wild type wild-type SARS-CoV-2 [DOI] 10.1128/mbio.00135-22 PMC 바로가기 [Article Type] Article
Stabilization of the SARS-CoV-2 receptor binding domain by protein core redesign and deep mutational scanningArticle Published on 2022-02-172023-07-08 Journal: Protein Engineering, Design and Selection [Category] COVID19(2023년), [키워드] deep mutational scanning FuncLib immunogen design. Rosetta SARS-CoV-2 [DOI] 10.1093/protein/gzac002 PMC 바로가기
De novo 3D models of SARS-CoV-2 RNA elements from consensus experimental secondary structuresAcademicSubjects/SCI00010 Published on 2021-04-062022-10-31 Journal: Nucleic Acids Research [Category] COVID-19, SARS, [키워드] 3′ UTR 3D model 3D structure 5′ UTR Accuracy Algorithm Antiviral approach characterized complement Consensus conserved cryo-EM dataset Drug discovery effort element facilitate frameshift include molecular offer predicted Region RNA RNA molecules Rosetta SARS-CoV-2 SARS-CoV-2 genome SARS-CoV-2 RNA second set secondary structure Small molecules spread of COVID-19 subsequent Support targets [DOI] 10.1093/nar/gkab119 PMC 바로가기 [Article Type] AcademicSubjects/SCI00010
Structure-Based Modeling of SARS-CoV-2 Peptide/HLA-A02 AntigensMedical Technology Published on 2020-11-172022-11-01 Journal: Frontiers in Medical Technology [Category] COVID-19, [키워드] 3D model approach Asymptomatic can be used CD4 CD8 CD8 T cell common allele common cold coronavirus complex complexes COVID-19 cross-reactive database diagnostic disease electrostatic epitope epitope cross-reactivity Epitope-based vaccine Epitopes expressed HLA-A homologous identify individual MHC-I Mild modeling peptide predict predicted Protein Data Bank residue Rosetta SARS-CoV-2 SARS-COV-2 infection shown strain Structure T cell T cell epitope T cell epitopes TCRs therapeutic [DOI] 10.3389/fmedt.2020.553478 PMC 바로가기 [Article Type] Medical Technology
Design of a basigin-mimicking inhibitor targeting the malaria invasion protein RH5article Published on 2020-01-312024-09-01 Journal: Proteins: Structure, Function, and Bioinformatics [Category] 말라리아, [키워드] deep sequencing high-affinity design host-pathogen interactions Plasmodium falciparum Rosetta [Article Type] article
Identification of combinatorial host-specific signatures with a potential to affect host adaptation in influenza A H1N1 and H3N2 subtypesResearch Article Published on 2016-07-292023-05-23 Journal: BMC Genomics [Category] Fulltext, 신종인플루엔자, [키워드] Combinatorial signatures host adaptation Host-specific signatures influenza A virus MCFS Rosetta Rough sets [DOI] 10.1186/s12864-016-2919-4 PMC 바로가기 [Article Type] Research Article
A complete map of potential pathogenicity markers of avian influenza virus subtype H5 predicted from 11 expressed proteinsResearch Article Published on 2015-06-262023-05-23 Journal: BMC Microbiology [Category] Fulltext, 조류인플루엔자, [키워드] Avian influenza virus MCFS pathogenicity Rosetta Rough sets virulence [DOI] 10.1186/s12866-015-0465-x PMC 바로가기 [Article Type] Research Article