Cargando…

Methodology-Centered Review of Molecular Modeling, Simulation, and Prediction of SARS-CoV-2

[Image: see text] Despite tremendous efforts in the past two years, our understanding of severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2), virus–host interactions, immune response, virulence, transmission, and evolution is still very limited. This limitation calls for further in-depth in...

Descripción completa

Detalles Bibliográficos
Autores principales:	Gao, Kaifu, Wang, Rui, Chen, Jiahui, Cheng, Limei, Frishcosy, Jaclyn, Huzumi, Yuta, Qiu, Yuchi, Schluckbier, Tom, Wei, Xiaoqi, Wei, Guo-Wei
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	American Chemical Society 2022
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9159519/ https://www.ncbi.nlm.nih.gov/pubmed/35594413 http://dx.doi.org/10.1021/acs.chemrev.1c00965

Ejemplares similares

Emerging dominant SARS-CoV-2 variants
por: Chen, Jiahui, et al.
Publicado: (2022)

Characterizing SARS-CoV-2 mutations in the United States
por: Wang, Rui, et al.
Publicado: (2020)

Analysis of SARS-CoV-2 mutations in the United States suggests presence of four substrains and novel variants
por: Wang, Rui, et al.
Publicado: (2021)

Author Correction: Analysis of SARS-CoV-2 mutations in the United States suggests presence of four substrains and novel variants
por: Wang, Rui, et al.
Publicado: (2021)

Revealing the Threat of Emerging SARS-CoV-2 Mutations to Antibody Therapies
por: Chen, Jiahui, et al.
Publicado: (2021)

Unveiling the molecular mechanism of SARS-CoV-2 main protease inhibition from 137 crystal structures using algebraic topology and deep learning
por: Nguyen, Duc Duy, et al.
Publicado: (2020)

Persistent topological Laplacian analysis of SARS-CoV-2 variants
por: Wei, Xiaoqi, et al.
Publicado: (2023)

Emerging vaccine-breakthrough SARS-CoV-2 variants
por: Wang, Rui, et al.
Publicado: (2021)

Review of the mechanisms of SARS-CoV-2 evolution and transmission
por: Chen, Jiahui, et al.
Publicado: (2021)

Vaccine-escape and fast-growing mutations in the United Kingdom, the United States, Singapore, Spain, India, and other COVID-19-devastated countries
por: Wang, Rui, et al.
Publicado: (2021)

Prediction and mitigation of mutation threats to COVID-19 vaccines and antibody therapies
por: Chen, Jiahui, et al.
Publicado: (2021)

Mutations Strengthened SARS-CoV-2 Infectivity
por: Chen, Jiahui, et al.
Publicado: (2020)

Review of applications and challenges of quantitative systems pharmacology modeling and machine learning for heart failure
por: Cheng, Limei, et al.
Publicado: (2021)

The evolution of the mechanisms of SARS-CoV-2 evolution revealing vaccine-resistant mutations in Europe and America
por: Wang, Rui, et al.
Publicado: (2021)

Host Immune Response Driving SARS-CoV-2 Evolution
por: Wang, Rui, et al.
Publicado: (2020)

UMAP-assisted K-means clustering of large-scale SARS-CoV-2 mutation datasets
por: Hozumi, Yuta, et al.
Publicado: (2021)

Pharmacotherapy and pulmonary fibrosis risk after SARS-CoV-2 infection
por: Zeng, Guangting, et al.
Publicado: (2023)

Retrospective detection of SARS-CoV-2 in hospitalized patients with influenza-like illness
por: Yu, Xiaoqi, et al.
Publicado: (2020)

HD5 and LL-37 Inhibit SARS-CoV and SARS-CoV-2 Binding to Human ACE2 by Molecular Simulation
por: Li, Daixi, et al.
Publicado: (2021)

Network of Conformational Transitions Revealed by Molecular Dynamics Simulations of the Carbonic Anhydrase II Apo-Enzyme
por: Ma, Huishu, et al.
Publicado: (2017)

Electromagnetic Wave Scattering on Nonspherical Particles: Basic Methodology and Simulations
por: Rother, Tom
Publicado: (2009)

Correction to: HD5 and LL‑37 Inhibit SARS‑CoV and SARS‑CoV‑2 Binding to Human ACE2 by Molecular Simulation
por: Li, Daixi, et al.
Publicado: (2021)

Artificial intelligence-aided protein engineering: from topological data analysis to deep protein language models
por: Qiu, Yuchi, et al.
Publicado: (2023)

Artificial intelligence-aided protein engineering: from topological data analysis to deep protein language models
por: Qiu, Yuchi, et al.
Publicado: (2023)

Simulations of the spike: molecular dynamics and SARS-CoV-2
por: Pedebos, Conrado, et al.
Publicado: (2022)

Electromagnetic wave scattering on nonspherical particles: basic methodology and simulations
por: Rother, Tom, et al.
Publicado: (2014)

Methodological notes on pandemic virus SARS-CoV-2 research
por: Zangari del Balzo, Gianluigi
Publicado: (2021)

Machine intelligence design of 2019-nCoV drugs
por: Gao, Kaifu, et al.
Publicado: (2020)

Simulation: statistical foundations and methodology
por: Mihram, G Arthur
Publicado: (1972)

Methodology of physics simulation software
por: Apostolakis, John, et al.
Publicado: (2000)

How ADA methodology informs SARS-CoV-2 assay development
por: Becker, Caroline
Publicado: (2020)

Using foresight methodologies to tackle SARS-COV-2 related health impacts
por: Tijhuis, M, et al.
Publicado: (2022)

Multi-targeting approach for nsp3, nsp9, nsp12 and nsp15 proteins of SARS-CoV-2 by Diosmin as illustrated by molecular docking and molecular dynamics simulation methodologies
por: Kumar, Sumit, et al.
Publicado: (2021)

Effect of Cholesterol on C99 Dimerization: Revealed by Molecular Dynamics Simulations
por: Li, Cheng-Dong, et al.
Publicado: (2022)

Pharmacotherapeutic Potential of Natural Products to Target the SARS-CoV-2 PLpro Using Molecular Screening and Simulation Approaches
por: Sayaf, Abrar Mohammad, et al.
Publicado: (2023)

Analysis of the molecular mechanism of SARS-CoV-2 antibodies
por: Jin, Dongfu, et al.
Publicado: (2021)

Simulation and Modeling Methodologies, Technologies and Applications
por: Obaidat, Mohammad, et al.
Publicado: (2014)

Multispectral Bioluminescence Tomography: Methodology and Simulation
por: Cong, Alexander X., et al.
Publicado: (2006)

Applied system simulation: methodologies and applications
por: Obaidat, Mohammad, et al.
Publicado: (2003)

Reduced sensitivity of SARS-CoV-2 Omicron variant to antibody neutralization elicited by booster vaccination
por: Yu, Xiaoqi, et al.
Publicado: (2022)

Cannot write session to /tmp/vufind_sessions/sess_e8p7mnn7qi4o0deadt4p7mta08