"Absolute Free Energies of Biomolecules from Unperturbed Ensembles", G. Grigoryan, Journal of Computational Chemistry, 34: 2726–2741, 2013 [DOI].
 "Mining Tertiary Structural Motifs for Assessment of Designability", J. Zhang, G. Grigoryan, Methods in Enzymology, 523: 21-40, 2013 [DOI].
 "Structural Informatics, Modeling and Design with an Open Source Molecular Software Library (MSL)", D. W. Kulp, S. Subramaniam, J. E. Donald, B. T. Hannigan, B. K. Mueller, G. Grigoryan, A. Senes, Journal of Computational Chemistry, 33(20): 1645-1661, 2012 [DOI].
 "Capture and Imaging of a Prehairpin Fusion Intermediate of the Paramyxovirus PIV5", Y. H. Kim, J. E. Donald, G. Grigoryan, G. P. Leser, A. Y. Fadeev , R. A. Lamb, W. F. DeGrado, Proc. Natl. Acad. Sci. USA, 108(52): 20992-20997, 2011 [DOI].
 "Computational Design of Virus-like Protein Assemblies on Carbon Nanotube Surfaces", G. Grigoryan, Y. H. Kim, R. Acharya, K. Axelrod, R. M. Jain, L. Willis, M. Drndic, J. M. Kikkawa, and W. F. DeGrado, Science, 332(6033): 1071-1076, 2011 [DOI].
 "Transmembrane Communication: General Principles and Lessons from the Structure and Function of the M2 Proton Channel, K+ Channels, and Integrin Receptors", G. Grigoryan, D. T. Moore, and W. F. DeGrado, Annual Review of Biochemistry, 80: 211-237, 2011 [DOI].
 "Identifying and Reducing Error in Cluster Expansion Approximations of Protein Energies", S. Hahn, O. Ashenberg, G. Grigoryan, and A. E. Keating, Journal of Computational Chemistry, 31(16): 2900-2914, 2010 [PubMED] [DOI].
 "Identification of bZIP Interaction Partners of Viral Proteins HBZ, MEQ, BZLF1, and K-bZIP Using Coiled-Coil Arrays", A. W. Reinke, G. Grigoryan, and A. E. Keating, Biochemistry, 49(9): 1985-1997, 2010 [PubMED] [DOI].
 "Cluster-Expansion Models for Flexible-Backbone Protein Energetics", J. R. Apgar, S. Hahn, G. Grigoryan, and A. E. Keating, Journal of Computational Chemistry, 30(15): 2402-2413, 2009 [PubMED] [DOI].
 "Computing van der Waals Energies in the Context of the Rotamer Approximation", G. Grigoryan, A. Ochoa, and A. E. Keating, Proteins: Structure, Function, and Bioinformatics, 68(4): 863-878, 2007 [PubMED] [DOI].
 "Ultra-fast Evaluation of Protein Conformational Energies Directly from Sequence", G. Grigoryan, F. Zhou, S. R. Lustig, G. Ceder, D. Morgan and A. E. Keating, PLoS Computational Biology, 2(6): e63, 2006 [PubMED] [DOI].
 "Coarse-Graining Protein Energetics in Sequence Variables", F. Zhou, G. Grigoryan, S. R. Lustig, A. E. Keating, G. Ceder, and D. Morgan, Physical Review Letters, 95(14): 148103, 2005 [PubMED] [DOI].
 "Design of a Heterospecific, Tetrameric, 21-Residue Miniprotein with Mixed alpha/beta Structure", M. H. Ali, C. M. Taylor, G. Grigoryan, K. N. Allen, B. Imperiali, and A. E. Keating, Structure, 13(2): 225-234, 2005 [PubMED] [DOI].
 "Probabilistic Surfaces: Point Based Primitives to Show Surface Uncertainty", G. Grigoryan and P. Rheingans, Proceedings of IEEE Visualization, pp. 147-153, 2002 [DOI].
 "Using Color to Understand Light Transmission", G. Grigoryan, I.T. Lima, Jr., T. Yu, V.S. Grigoryan, and C.R. Menyuk, Optics and Photonics News, 11(8): 44-50, 2000 [DOI].