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Network analysis uncovers the communication structure of SARS-CoV-2 Spike protein identifying sites for immunogen design

Author(s): Manrique PD; Chakraborty S; Henderson R; Edwards RJ; Mansbach R; Nguyen K; Stalls V; Saunders C; Mansouri K; Acharya P; Korber B; Gnanakaran S;

The COVID-19 pandemic, caused by the SARS-CoV-2 virus, has triggered myriad efforts to understand the structure and dynamics of this complex pathogen. The Spike glycoprotein of SARS-CoV-2 is a significant target for immunogens as it is the means by which the virus enters human cells, while simult ...

Article GUID: 36590900


Exploring the Role of Glycans in the Interaction of SARS-CoV-2 RBD and Human Receptor ACE2

Author(s): Nguyen K; Chakraborty S; Mansbach RA; Korber B; Gnanakaran S;

COVID-19 is a highly infectious respiratory disease caused by the novel coronavirus SARS-CoV-2. It has become a global pandemic and its frequent mutations may pose new challenges for vaccine design. During viral infection, the Spike RBD of SARS-CoV-2 binds the human host cell receptor ACE2, enabling the virus to enter the host cell. Both the Spike and ACE ...

Article GUID: 34067878


Effects of pH on an IDP conformational ensemble explored by molecular dynamics simulation.

Author(s): Lindsay RJ, Mansbach RA, Gnanakaran S, Shen T

The conformational ensemble of intrinsically disordered proteins, such as a-synuclein, are responsible for their function and malfunction. Misfolding of a-synuclein can lead to neurodegenerative diseases, and the ability to study their conformations and those of other intrinsically disordered proteins under varying physiological conditions can be crucial ...

Article GUID: 33581430


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