Gevorg Grigoryan

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There is a general need for the engineering of protein-like molecules that organize into geometrically specific superstructures on molecular surfaces, directing further functionalization to create richly textured, multilayered assemblies. Here we describe a computational approach whereby the surface properties and symmetry of a targeted surface define the(More)
Because the space of folded protein structures is highly degenerate, with recurring secondary and tertiary motifs, methods for representing protein structure in terms of collective physically relevant coordinates are of great interest. By collapsing structural diversity to a handful of parameters, such methods can be used to delineate the space of(More)
The MIT Faculty has made this article openly available. Please share how this access benefits you. Your story matters. Abstract: The design of functional membrane proteins from first principles represents a grand challenge in chemistry and structural biology. Here we report the design of a membrane-spanning four-helical bundle that transports first-row(More)
The design of functional membrane proteins from first principles represents a grand challenge in chemistry and structural biology. Here, we report the design of a membrane-spanning, four-helical bundle that transports first-row transition metal ions Zn(2+) and Co(2+), but not Ca(2+), across membranes. The conduction path was designed to contain two di-metal(More)
The observation of a limited secondary-structural alphabet in native proteins, with significant sequence preferences, has profoundly influenced the fields of protein design and structure prediction (Simons, Kooperberg, Huang, & Baker, 1997; Verschueren et al., 2011). In the era of structural genomics, as the size of the structural dataset continues to grow(More)
Extracting useful generalizations from the continually growing Protein Data Bank (PDB) is of central importance. We hypothesize that the PDB contains valuable quantitative information on the level of local tertiary structural motifs (TERMs). We show that by breaking a protein structure into its constituent TERMs, and querying the PDB to characterize the(More)
1 Visualization techniques 1.1 Visualization of uncertainty Paper Gevorg Grigoryan and Penny Rheingans. Probabilistic surfaces: Point based primitives to show surface uncertainty. Abstract Efficient and informative visualization of surfaces with uncertainties is an important topic with many applications in science and engineering. Examples include(More)
Protein tertiary structures exhibit an observable degeneracy in nature. This paper examines the connection between a protein motif's abundance in nature and its designability as measured by in silico methods. After generating a set of protein structures, we evaluated each structure's abundance in nature, ratio of possible contacts (contact degree) and in(More)
Learning to engineer self-assembly would enable the precise organization of molecules by design to create matter with tailored properties. Here we demonstrate that proteins can direct the self-assembly of buckminsterfullerene (C60) into ordered superstructures. A previously engineered tetrameric helical bundle binds C60 in solution, rendering it water(More)
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