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Articles by Michael Gecht
GlycoSHIELD: a versatile pipeline to assess glycan impact on protein structures
Abstract More than 75% of surface and secreted proteins are modified by covalent addition of complex sugars through N- and O-glycosylation. Unlike proteins, glycans do not typically adopt specific secondary structures and remain very mobile, influencing protein dynamics and interactions with other molecules. Glycan conformational freedom impairs complete structural elucidation of glycoproteins. Computer simulations may be used to model glycan structure and dynamics.
Computational epitope map of SARS-CoV-2 spike protein
Loading metrics Open Access Peer-reviewed Research Article Mateusz Sikora , Sören von Bülow , Florian E. C. Blanc , Michael Gecht , Roberto Covino , Gerhard Hummer Mateusz Sikora, Sören von Bülow, Florian E. C. Blanc, Michael Gecht, Roberto Covino, Gerhard Hummer Published: April 1, 2021 https://doi.org/10.1371/journal.pcbi.1008790 Figures Abstract The primary immunological target of COVID-19 vaccines is the SARS-CoV-2 spike (S) protein.
MDBenchmark: A toolkit to optimize the performance of molecular dynamics simulations
Article Metrics Views 1,543 Citations Crossref 0 Web of Science ISI 0 Altmetric Please Note: The number of views represents the full text views from December 2016 to date. Article views prior to December 2016 are not included.
In situ structural analysis of SARS-CoV-2 spike reveals flexibility mediated by three hinges
Flexible spikes The severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) spike protein enables viral entry into host cells by binding to the angiotensin-converting enzyme 2 (ACE2) receptor and is a major target for neutralizing antibodies. About 20 to 40 spikes decorate the surface of virions. Turoňová et al. now show that the spike is flexibly connected to the viral surface by three hinges that are well protected by glycosylation sites.
In situ structural analysis of SARS-CoV-2 spike reveals flexibility mediated by three hinges
Abstract The spike (S) protein of severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) is required for cell entry and is the major focus for vaccine development. Here, we combine cryo electron tomography, subtomogram averaging and molecular dynamics simulations to structurally analyze S in situ. Compared to recombinant S, the viral S was more heavily glycosylated and occurred mostly in the closed pre-fusion conformation.
Osh Proteins Control Nanoscale Lipid Organization Necessary for PI(4,5)P2 Synthesis
Highlights • The Osh lipid exchange proteins are required to maintain PI(4,5)P2 levels in the PM • Unsaturated PS and sterols synergistically stimulate PIP5K activity • The specificity loop conserved in PIP5Ks serves as a lipid sensor • A simulation model of the PIP5K specificity loop embedded in a lipid bilayer Summary The plasma membrane (PM) is composed of a complex lipid mixture that forms heterogeneous membrane environments.
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