Ropón-Palacios G
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galileo92.bsky.social
Ropón-Palacios G
@galileo92.bsky.social
16 followers 17 following 0 posts
I am a computational biologist/biophysicist, and I try understanding complex biological phenomena. #Virology #NTDs #Biophysics #BiologicalPhysics #BiomolecularPhysics.
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Reposted by Ropón-Palacios G
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The Role of Host Cell Glycans on Virus Infectivity: The #SARSCoV2 Case

onlinelibrary.wiley.com/doi/full/10....
Representation of the SARS-CoV-2 virion landing on the membrane of a host cell in two steps: (1) Attachment to HS and (2) binding to the entry receptors. Spike glycoproteins are shown as a surface with all-atom glycosylation and colored according to the receptor binding domain (RDB) conformation: up (dark blue, PDBid 6VXX) or down (cyan, PDBid 6VSB). On the host membrane, all-atom structures of different components are represented as surface: syndecan 1 and 4, glypican, TMPRSS2, and the ACE2-BT0 complex (PDBid 6M1D). The structure of the long heparan sulfate chain is highlighted as an inset and depicted as licorice. The binding between one ACE2 monomer and one spike glycoprotein RBD domain is highlighted as an inset with an all-atom representation of a high-mannose glycan. Multiple conformations (extracted from a molecular dynamics simulation of the ACERDB domain complex) of the ACE2 N-glycans have been superimposed and depicted as licorice to highlight the N-glycan trapping effect.
October 23, 2023 at 11:34 AM
Reposted by Ropón-Palacios G
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Microscopic mechanism of thermal amorphization of ZIF-4 and melting of ZIF-zni revealed via molecular dynamics and machine learning techniques http://pubs.rsc.org/en/Content/ArticleLanding/2024/TA/D3TA07361K
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January 24, 2024 at 3:12 PM