Deep learning the structural determinants of protein biochemical properties by comparing structural ensembles with DiffNetsArticle Published on 2021-05-212022-10-04 Journal: Nature Communications [Category] 변종, [키워드] Algorithm assumption automatically binding biochemical change complex Computational biophysics Computational science deep Deep Learning Method determinant example feature Features geometric help identify increasingly isoforms Ligand perturbations predict Protein reduction stability Streamline Structure understanding variant variants [DOI] 10.1038/s41467-021-23246-1 PMC 바로가기 [Article Type] Article
Host-cell recognition through GRP78 is enhanced in the new UK variant of SARS-CoV-2, in silicoGRP78을 통한 숙주 세포 인식은 SARS-CoV-2의 새로운 영국 변종에서 향상되었습니다.Article Published on 2021-05-012022-09-11 Journal: The Journal of Infection [Category] Fulltext, SARS, 변종, [키워드] Abstract Computational biophysics COVID-19 GRP78 in silico New New variant VUI 202012/01 RBD SARS-CoV-2 spike spike RBD variant variant of SARS-CoV-2 [DOI] 10.1016/j.jinf.2021.01.015 PMC 바로가기 [Article Type] Article
Unraveling the stability landscape of mutations in the SARS-CoV-2 receptor-binding domainArticle Published on 2021-04-282022-10-04 Journal: Scientific Reports [Category] SARS, 변종, [키워드] ACE2 Affect affecting analyzed atomic binding Cell Combination Computational biology and bioinformatics Computational biophysics Computer modelling Computer science database Disease progression domain Effective vaccines effort enzyme globe Interaction kidneys limit liver Lungs mutant mutant spike protein Mutation mutations Protein RBD receptor reported searched sequence single-point mutation Software spike glycoprotein Spike protein stability Structure structures the RBD the receptor-binding domain the SARS-CoV-2 the spike protein therapeutic toxicity potential Vaccine virus [DOI] 10.1038/s41598-021-88696-5 PMC 바로가기 [Article Type] Article
Computational drug repurposing study elucidating simultaneous inhibition of entry and replication of novel corona virus by GrazoprevirArticle Published on 2021-03-312022-10-04 Journal: Scientific Reports [Category] 신약개발, [키워드] Analysis anti-viral drug approved Area Clinical studies clinical study complex Computational biophysics coronavirus disease COVID-19 COVID-19 pandemic demonstrated Drug discovery and development drug resistance Dynamics effective eukaryotic FDA Grazoprevir HCV hepatitis C host cell Hypothesis indicated interact Interaction Keeping Mechanics multiple pathway novel corona virus pathway Replication residue RNA-dependent RNA polymerase serine protease stability Structural analysis surface synergistic targets TMPRSS2 Treatment unlikely viral entry Viral proteins viral replication [DOI] 10.1038/s41598-021-86712-2 PMC 바로가기 [Article Type] Article
Potential neutralizing antibodies discovered for novel corona virus using machine learningArticle Published on 2021-03-042022-10-04 Journal: Scientific Reports [Category] SARS, 변종, [키워드] antibody antibody sequence bioinformatics Biophysics Cheminformatics collected Computational biophysics Computational models COVID-19 Dynamics epitope forest hypothetical immune system inhibit inhibit SARS-CoV-2 inhibitory machine learning ML model neutralization neutralizing antibody nine novel corona virus outbreak Patient peptide perceptron Potential predict Proteins Rapid Regression SARS-CoV-2 screened sequence stability support vector machine the antibody response variety virus mutation [DOI] 10.1038/s41598-021-84637-4 PMC 바로가기 [Article Type] Article
Role of a Concentration Gradient in Malaria Drug Resistance Evolution: A Combined within- and between-Hosts Modelling Approach말라리아 약물 저항성 진화에서 농도 기울기의 역할: 호스트 내 및 호스트 간 모델링 접근법 결합Article Published on 2020-04-102024-08-11 Journal: Burma Med J [Category] 말라리아, [키워드] Biological physics Computational biophysics Computational science [DOI] 10.1038/s41598-020-63283-2 PMC 바로가기 [Article Type] Article