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Most of the ongoing projects aimed at the development of specific therapies and vaccines against COVID-19 use the SARS-CoV-2 spike (S) protein as the main target [1-3]. The binding of the spike protein with the ACE2 receptor (ACE2) of the…

Biological Physics · Physics 2021-11-17 Claudia R. Arbeitman , Pablo Rojas , Pedro Ojeda-May , Martin E. Garcia

The wide spread of coronavirus disease 2019 (COVID-19) has declared a global health emergency. As one of the most important targets for antibody and drug developments, Spike RBD-ACE2 interface has received extensive attention. Here, using…

Biomolecules · Quantitative Biology 2021-05-14 Yanmei Yang , Yunju Zhang , Yuanyuan Qu , Xuewei Liu , Mingwen Zhao , Yuguang Mu , Weifeng Li

The rapid evolution and global impact of coronaviruses, notably SARS-CoV-1 and SARS-CoV-2, underscore the importance of understanding their molecular mechanisms in detail. This study focuses on the receptor-binding motif (RBM) within the…

Biological Physics · Physics 2026-03-16 Rafael B. Frigori

A theory on the conformation transition for SARS-CoV-2 spike protein (S) is proposed. The conformation equilibrium between open (up) and closed (down) conformations of receptor binding domain (RBD) of the spike is studied from the…

Biomolecules · Quantitative Biology 2021-02-01 Liaofu Luo , Yongchun Zuo

A recent experimental study found that the binding affinity between the cellular receptor human angiotensin converting enzyme 2 (ACE2) and receptor-binding domain (RBD) in spike (S) protein of novel severe acute respiratory syndrome…

Biomolecules · Quantitative Biology 2020-08-28 Jiacheng Li , Xiaoliang Ma , Shuai Guo , Chengyu Hou , Liping Shi , Hongchi Zhang , Bing Zheng , Chencheng Liao , Lin Yang , Lin Ye , Xiaodong He

The devastating impact of the COVID-19 pandemic caused by SARS coronavirus 2 (SARS CoV 2) has raised important questions about viral origin, mechanisms of zoonotic transfer to humans, whether companion or commercial animals can act as…

Biomolecules · Quantitative Biology 2021-07-12 Sakshi Piplani , Puneet Kumar Singh , David A. Winkler , Nikolai Petrovsky

The primary cell surface receptor for SARS-CoV-2 is the angiotensin-converting enzyme 2 (ACE2). Recently it has been noticed that the viral Spike protein has an RGD motif, suggesting that cell surface integrins may be co-receptors. We…

Coronaviruses are a class of virus responsible of the recent outbreak of Human Severe Acute Respiratory Syndrome. The molecular machinery behind the viral entry and thus infectivity is based on the formation of the complex of virus spike…

Biomolecules · Quantitative Biology 2020-03-12 Luisa Di Paola , Alessandro Giuliani

The infectivity of SARS-CoV-2 depends on the binding affinity of the receptor-binding domain (RBD) of the spike protein with the angiotensin converting enzyme 2 (ACE2) receptor. The calculated RBD-ACE2 binding energies indicate that the…

Biomolecules · Quantitative Biology 2022-04-28 Lin Yang , Shuai Guo , Chengyu Houc , Jiacheng Lia , Liping Shi , Chenchen Liao , Rongchun Shi , Xiaoliang Ma , Bing Zheng , Yi Fang , Lin Ye , Xiaodong He

Specific elements of viral genomes regulate interactions within host cells. Here, we calculated the secondary structure content of >2500 coronaviruses and computed >100000 human protein interactions with severe acute respiratory syndrome…

Biomolecules · Quantitative Biology 2020-04-30 Andrea Vandelli , Michele Monti , Edoardo Milanetti , Riccardo Delli Ponti , Gian Gaetano Tartaglia

The novel severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) is a major worldwide public health emergency that has infected over $1.5$ million people. The partially open state of S1 subunit in spike glycoprotein is considered…

Biomolecules · Quantitative Biology 2020-04-14 Hao Tian , Peng Tao

Preliminary epidemiologic, phylogenetic and clinical findings suggest that several novel severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) variants have increased transmissibility and decreased efficacy of several existing…

Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) infectivity is a major concern in coronavirus disease 2019 (COVID-19) prevention and economic reopening. However, rigorous determination of SARS-COV-2 infectivity is essentially…

Biomolecules · Quantitative Biology 2020-06-01 Jiahui Chen , Rui Wang , Menglun Wang , Guo-Wei Wei

COVID-19, since emerged in Wuhan, China, has been a major concern due to its high infection rate, leaving more than one million infected people around the world. Huge number of studies tried to reveal the structure of the SARS-CoV-2…

Biological Physics · Physics 2020-04-07 Muhamed Amin , Mariam K. Sorour , Amal Kasry

COVID-19 has affected the world tremendously. It is critical that biological experiments and clinical designs are informed by computational approaches for time- and cost-effective solutions. Comparative analyses particularly can play a key…

Biomolecules · Quantitative Biology 2020-04-10 Goksel Misirli

SARS-CoV-2 coronavirus infection is mediated by the binding of its spike protein to the angiotensin-converting enzyme 2 (ACE2), which plays a pivotal role in the renin-angiotensin system (RAS). The study of RAS dysregulation due to…

Molecular Networks · Quantitative Biology 2020-08-04 Fabrizio Pucci , Philippe Bogaerts , Marianne Rooman

The outbreak of the coronavirus disease 2019 (COVID-19) caused by severe acute respiratory syndrome coronavirus-2 (SARS-CoV-2) has become a worldwide public health crisis. When the SARS-CoV-2 enters the biological fluids in the human body,…

Biological Physics · Physics 2021-02-11 Yue-wen Yin , Yan-jing Sheng , Min Wang , Song-di Ni , Hong-ming Ding , Yu-qiang Ma

SARS-CoV-2 is what has caused the COVID-19 pandemic. Early viral infection is mediated by the SARS-CoV-2 homo-trimeric Spike (S) protein with its receptor binding domains (RBDs) in the receptor-accessible state. We performed molecular…

Biomolecules · Quantitative Biology 2021-01-07 Yao Li , Tong Wang , Juanrong Zhang , Bin Shao , Haipeng Gong , Yusong Wang , Siyuan Liu , Tie-Yan Liu

We investigate connectivity properties of the SARS-CoV2 spike protein-human ACE2-receptor complex employing a protein side chain-based network method that allows us to span a range from atomic to global protein scales. We analyze network…

SARS-CoV-2, the causative agent of the disease known as Covid-19, has so far reported around 3,435,000 cases of human infections, including more than 239,000 deaths in 187 countries, with no effective treatment currently available. For this…

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