Gevorg Grigoryan

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Interaction specificity is a required feature of biological networks and a necessary characteristic of protein or small-molecule reagents and therapeutics. The ability to alter or inhibit protein interactions selectively would advance basic and applied molecular science. Assessing or modelling interaction specificity requires treating multiple competing(More)
Efficient and informative visualization of surfaces with uncertainties is an important topic with many applications in science and engineering. In these applications, the correct course of action may depend not only on the location of a boundary, but on the precision with which that location is known. Examples include environmental pollution borderline(More)
Coiled coils have a rich history in the field of protein design and engineering. Novel structures, such as the first seven-helix coiled coil, continue to provide surprises and insights. Large-scale datasets quantifying the influence of systematic mutations on coiled-coil stability are a valuable new asset to the area. Scoring methods based on sequence(More)
Efficient and informative visualization of surfaces with uncertainties is an important topic with many applications in science and engineering. Examples include environmental pollution borderline identification, identification of the limits of an oil basin, or discrimination between contaminated and healthy tissue in medicine. This paper presents an(More)
Basic-region leucine-zipper transcription factors (bZIPs) contain a segment rich in basic amino acids that can bind DNA, followed by a leucine zipper that can interact with other leucine zippers to form coiled-coil homo- or heterodimers. Several viruses encode proteins containing bZIP domains, including four that encode bZIPs lacking significant homology to(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)
Predicting protein interaction specificity from sequence is an important goal in computational biology. We present a model for predicting the interaction preferences of coiled-coil peptides derived from bZIP transcription factors that performs very well when tested against experimental protein microarray data. We used only sequence information to build(More)
Computational Techniques Overview of Anti-bZIP Design Using CLASSY CLASSY is a computational design procedure for optimizing the stability of a particular structural state as a function of sequence, under an arbitrary number of constraints. It is compatible with many types of potential functions. Any linear analytical function of sequence variables can be(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 rotamer approximation states that protein side-chain conformations can be described well using a finite set of rotational isomers. This approximation is often applied in the context of computational protein design and structure prediction to reduce the complexity of structural sampling. It is an effective way of reducing the structure space to the most(More)