☆ 4.7 Article

Evaluation of Interactions between SARS-CoV-2 RBD and Full-Length ACE2 with Coarse-Grained Molecular Dynamics Simulations

JOURNAL OF CHEMICAL INFORMATION AND MODELING (2022)

相关参考文献

注意：仅列出部分参考文献，下载原文获取全部文献信息。

Article Multidisciplinary Sciences

SARS-CoV-2 spike glycoprotein vaccine candidate NVX-CoV2373 immunogenicity in baboons and protection in mice

Jing-Hui Tian et al.

Summary: The study reports the development of a SARS-CoV-2 subunit vaccine candidate that contains full-length spike protein stabilized in its prefusion conformation, showing immunogenicity in mice and protection in baboons with Matrix-M adjuvanted vaccine, supporting ongoing phase 1/2 clinical evaluation of NVX-CoV2373 with Matrix-M (NCT04368988).

NATURE COMMUNICATIONS (2021)

添加到收藏夹

Article Multidisciplinary Sciences

Conformational dynamics of SARS-CoV-2 trimeric spike glycoprotein in complex with receptor ACE2 revealed by cryo-EM

Cong Xu et al.

Summary: The recent global health emergency caused by SARS-CoV-2 outbreak is mediated by the interaction between the SARS-CoV-2 trimeric spike glycoprotein and the human ACE2 receptor. The SARS-CoV-2 S trimer is more sensitive to ACE2 receptor compared to SARS-CoV S trimer, potentially contributing to its superior infectivity. Research findings depict the mechanism of ACE2-induced conformational transitions in S trimer structure, aiding in the development of anti-SARS-CoV-2 vaccines and therapeutics.

SCIENCE ADVANCES (2021)

添加到收藏夹

Article Cell Biology

Higher infectivity of the SARS-CoV-2 new variants is associated with K417N/T, E484K, and N501Y mutants: An insight from structural data

Abbas Khan et al.

Summary: The new variants of SARS-CoV-2 are more contagious and require further investigation on their interaction with the host receptor to identify new therapeutic options. Specific mutations in the Spike glycoprotein of the new variants may play a critical role in their unique pathogenicity.

JOURNAL OF CELLULAR PHYSIOLOGY (2021)

添加到收藏夹

Article Chemistry, Physical

Regulation Mechanism for the Binding between the SARS-CoV-2 Spike Protein and Host Angiotensin-Converting Enzyme II

Haiyi Chen et al.

Summary: The study revealed that the presence of heparan sulfate is crucial for the binding between the spike protein of SARS-CoV-2 and host ACE2, while the stability of the T470-F490 loop and hydrophobic interactions play key roles in the binding process.

JOURNAL OF PHYSICAL CHEMISTRY LETTERS (2021)

添加到收藏夹

Article Physics, Multidisciplinary

Accurate Evaluation on the Interactions of SARS-CoV-2 with Its Receptor ACE2 and Antibodies CR3022/CB6*

Hong-ming Ding et al.

Summary: This study proposed a new method based on MM/PBSA to accurately calculate the free energy of SARS-CoV-2 RBD binding to ACE2 and antibodies, showing consistent results with experiments. The research also identified key residues and main driving forces for the interaction of SARS-CoV-2 with other proteins.

CHINESE PHYSICS LETTERS (2021)

添加到收藏夹

Article Virology

Receptor recognition by novel coronavirus from Wuhan: An analysis based on decade-long structural studies of SARS

Yushun Wan et al.

JOURNAL OF VIROLOGY (2020)

添加到收藏夹

Article Multidisciplinary Sciences

Structural basis for the recognition of SARS-CoV-2 by full-length human ACE2

Renhong Yan et al.

SCIENCE (2020)

添加到收藏夹

Article Multidisciplinary Sciences

Cryo-EM structure of the 2019-nCoV spike in the prefusion conformation

Daniel Wrapp et al.

SCIENCE (2020)

添加到收藏夹

Article Chemistry, Multidisciplinary

Computational Design of ACE2-Based Peptide Inhibitors of SARS-CoV-2

Yanxiao Han et al.

ACS NANO (2020)

添加到收藏夹

Article Multidisciplinary Sciences

Cell entry mechanisms of SARS-CoV-2

Jian Shang et al.

PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2020)

添加到收藏夹

Article Chemistry, Physical

Is the Rigidity of SARS-CoV-2 Spike Receptor-Binding Motif the Hallmark for Its Enhanced Infectivity? Insights from All-Atom Simulations

Angelo Spinello et al.

JOURNAL OF PHYSICAL CHEMISTRY LETTERS (2020)

添加到收藏夹

Editorial Material Biochemistry & Molecular Biology

Making Sense of Mutation: What D614G Means for the COVID-19 Pandemic Remains Unclear

Nathan D. Grubaugh et al.

CELL (2020)

添加到收藏夹

Article Biochemistry & Molecular Biology

A Universal Design of Betacoronavirus Vaccines against COVID-19, MERS, and SARS

Lianpan Dai et al.

CELL (2020)

添加到收藏夹

Article Biochemistry & Molecular Biology

Tracking Changes in SARS-CoV-2 Spike: Evidence that D614G Increases Infectivity of the COVID-19 Virus

Bette Korber et al.

CELL (2020)

添加到收藏夹

Article Chemistry, Multidisciplinary

Computational Alanine Scanning and Structural Analysis of the SARS-CoV-2 Spike Protein/Angiotensin-Converting Enzyme 2 Complex

Erik Laurini et al.

ACS NANO (2020)

添加到收藏夹

Article Multidisciplinary Sciences

A vaccine targeting the RBD of the S protein of SARS-CoV-2 induces protective immunity

Jingyun Yang et al.

NATURE (2020)

添加到收藏夹

Article Multidisciplinary Sciences

Enhanced receptor binding of SARS-CoV-2 through networks of hydrogen-bonding and interactions

Yingjie Wang et al.

PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2020)

添加到收藏夹

Article Multidisciplinary Sciences

Distinct conformational states of SARS-CoV-2 spike protein

Yongfei Cai et al.

SCIENCE (2020)

添加到收藏夹

Article Multidisciplinary Sciences

Dynamics of the ACE2-SARS-CoV-2/SARS-CoV spike protein interface reveal unique mechanisms

Amanat Ali et al.

SCIENTIFIC REPORTS (2020)

添加到收藏夹

Article Chemistry, Physical

Computational Insights into the Conformational Accessibility and Binding Strength of SARS-CoV-2 Spike Protein to Human Angiotensin-Converting Enzyme 2

Cheng Peng et al.

JOURNAL OF PHYSICAL CHEMISTRY LETTERS (2020)

添加到收藏夹

Article Chemistry, Physical

Computational Lipidomics with insane: A Versatile Tool for Generating Custom Membranes for Molecular Simulations

Tsjerk A. Wassenaar et al.

JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2015)

添加到收藏夹

Article Chemistry, Physical

Going Backward: A Flexible Geometric Approach to Reverse Transformation from Coarse Grained to Atomistic Models

Tsjerk A. Wassenaar et al.

JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2014)

添加到收藏夹

Article Chemistry, Physical

Improved Parameters for the Martini Coarse-Grained Protein Force Field

Djurre H. de Jong et al.

JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2013)

添加到收藏夹

Article Chemistry, Physical

The MARTINI coarse-grained force field: Extension to proteins

Luca Monticelli et al.

JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2008)

添加到收藏夹

Article Chemistry, Physical

GROMACS 4: Algorithms for highly efficient, load-balanced, and scalable molecular simulation

Berk Hess et al.

JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2008)

添加到收藏夹

Article Chemistry, Physical

The MARTINI force field: Coarse grained model for biomolecular simulations

Siewert J. Marrink et al.

JOURNAL OF PHYSICAL CHEMISTRY B (2007)

添加到收藏夹

Article Chemistry, Physical

Canonical sampling through velocity rescaling

Giovanni Bussi et al.

JOURNAL OF CHEMICAL PHYSICS (2007)

添加到收藏夹

Review Biochemistry & Molecular Biology

Coarse-grained models for proteins

V Tozzini

CURRENT OPINION IN STRUCTURAL BIOLOGY (2005)

添加到收藏夹

Article Chemistry, Physical

Coarse grained model for semiquantitative lipid simulations

SJ Marrink et al.

JOURNAL OF PHYSICAL CHEMISTRY B (2004)

添加到收藏夹

© Peeref 2019-2024. All rights reserved.