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Planar hepta-, octa-, nona-, and decacoordinate first row d-block metals enclosed by boron rings.
Possible planar hypercoordinate molecules with first row d-block metal atoms in the centers of boron rings are explored comprehensively by density-functional theory (DFT) computations. Many optimizedExpand
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Cyclic boron clusters enclosing planar hypercoordinate cobalt, iron, and nickel.
Planar cyclic boron clusters with cobalt, iron, and nickel atoms at their centerssinglet D(8h) CoB(8)(-), D(9h) FeB(9)(-), CoB(9), and NiB(9)(+)are computed to be stable minima at the BP86/TZVPP DFTExpand
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Structural Analysis of the Glycosylated Intact HIV-1 gp120–b12 Antibody Complex Using Hydroxyl Radical Protein Footprinting
Glycoprotein gp120 is a surface antigen and virulence factor of human immunodeficiency virus 1. Broadly neutralizing antibodies (bNAbs) that react to gp120 from a variety of HIV isolates offer hopeExpand
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Boron rings enclosing planar hypercoordinate group 14 elements.
Sets of boron rings enclosing planar hypercoordinate group 14 elements (ABn(n-8); A = group 14 element; n = 6-10) are designed systematically based on geometrical and electronic fit principles: theExpand
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Planar pentacoordinate carbon in CAl5(+): a global minimum.
We report evidence for the first global-minimum structure having a planar pentacoordinate carbon. High-level ab initio computations and quantum molecular dynamics simulations at 300 and 400 K revealExpand
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Myriad planar hexacoordinate carbon molecules inviting synthesis.
The prototypal hexacoordinate carbon (phC) molecule, CB62- (D6h), can be annulated by inserting arenes, olefins, or other one or two atom bridging groups into a perimeter B−B bond. Two single-atomExpand
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Sugar-modified foldamers as conformationally defined and biologically distinct glycopeptide mimics.
It is predicted that over half of all eukaryotic proteins are glycosylated, and it is now well-established that co- and post-translational modification of proteins with glycans can have dramaticExpand
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Analysis of the SARS-CoV-2 spike protein glycan shield reveals implications for immune recognition
Here we have generated 3D structures of glycoforms of the spike (S) glycoprotein from SARS-CoV-2, based on reported 3D structures and glycomics data for the protein produced in HEK293 cells. We alsoExpand
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3D Models of glycosylated SARS-CoV-2 spike protein suggest challenges and opportunities for vaccine development
Here we have generated 3D structures of glycoforms of the spike (S) protein SARS-CoV-2, based on reported 3D structures for the S protein and on reported glycomics data for the protein produced inExpand
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Analysis of the SARS-CoV-2 spike protein glycan shield: implications for immune recognition
Here we have generated 3D structures of glycoforms of the spike (S) glycoprotein from SARS-CoV-2, based on reported 3D structures and glycomics data for the protein produced in HEK293 cells. We alsoExpand
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