G
Garegin A. Papoian
Researcher at University of Maryland, College Park
Publications - 137
Citations - 4887
Garegin A. Papoian is an academic researcher from University of Maryland, College Park. The author has contributed to research in topics: Actin & Actin cytoskeleton. The author has an hindex of 36, co-authored 124 publications receiving 4328 citations. Previous affiliations of Garegin A. Papoian include University of North Carolina at Chapel Hill & Technical University of Denmark.
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Journal ArticleDOI
Water in protein structure prediction
Garegin A. Papoian,Johan Ulander,Johan Ulander,Michael P. Eastwood,Michael P. Eastwood,Zaida Luthey-Schulten,Peter G. Wolynes +6 more
TL;DR: A physically motivated, nonpairwise-additive model of water-mediated interactions added to a protein structure prediction Hamiltonian yields marked improvement in the quality of structure prediction for larger proteins.
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AWSEM-MD: protein structure prediction using coarse-grained physical potentials and bioinformatically based local structure biasing
Aram Davtyan,Nicholas P. Schafer,Weihua Zheng,Cecilia Clementi,Peter G. Wolynes,Peter G. Wolynes,Garegin A. Papoian +6 more
TL;DR: The model's structure prediction capabilities for three levels of global homology between the target sequence and those proteins used for local structure biasing, all of which assume that the structure of the target sequences is not known are demonstrated.
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Hypervalent Bonding in One, Two, and Three Dimensions: Extending the Zintl-Klemm Concept to Nonclassical Electron-Rich Networks.
TL;DR: The hypervalent electron counting scheme developed in this paper, along with the classical Zintl-Klemm electron counting rules, gives an easy qualitative understanding of bonding in a wide variety of intermetallic compounds of heavy main group elements.
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A Comparative Theoretical Study of the Hydrogen, Methyl, and Ethyl Chemisorption on the Pt(111) Surface
TL;DR: In this article, a comprehensive theory of hydrogen and methyl chemisorption on Pt(111) is developed with the help of Crystal Orbital Hamilton Population formalism within the extended Huckel molecular orbital theory.
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Role of Water Mediated Interactions in Protein−Protein Recognition Landscapes
TL;DR: It is found that water-mediated interactions greatly complement direct interactions in discriminating against various types of trap interactions that model those present in the cell.