Probabilistic Surfaces: Point Based Primitives to Show Surface Uncertainty. - Gevorg Grigoryan; Penny Rheingans (IEEE Visualization, 2002)

Point-Based Probabilistic Surfaces to Show Surface Uncertainty. - Gevorg Grigoryan; Penny Rheingans (IEEE Trans. Vis. Comput. Graph., 2004)

Ultra-Fast Evaluation of Protein Energies Directly from Sequence. - Gevorg Grigoryan; Fei Zhou 002; Steve R. Lustig; Gerbrand Ceder; Dane Morgan; Amy E. Keating (PLoS Comput. Biol., 2006)

Cluster expansion models for flexible-backbone protein energetics. - James R. Apgar; Seungsoo Hahn; Gevorg Grigoryan; Amy E. Keating (J. Comput. Chem., 2009)

Identifying and reducing error in cluster-expansion approximations of protein energies. - Seungsoo Hahn; Orr Ashenberg; Gevorg Grigoryan; Amy E. Keating (J. Comput. Chem., 2010)

Structural informatics, modeling, and design with an open-source Molecular Software Library (MSL). - Daniel W. Kulp; Sabareesh Subramaniam; Jason E. Donald; Brett T. Hannigan; Benjamin K. Mueller; Gevorg Grigoryan; Alessandro Senes (J. Comput. Chem., 2012)

Absolute free energies of biomolecules from unperturbed ensembles. - Gevorg Grigoryan (J. Comput. Chem., 2013)

OCoM-SOCoM: Combinatorial Mutagenesis Library Design Optimally Combining Sequence and Structure Information. - Deeptak Verma; Gevorg Grigoryan; Chris Bailey-Kellogg (BCB, 2016)

Pareto Optimization of Combinatorial Mutagenesis Libraries. - Deeptak Verma; Gevorg Grigoryan; Chris Bailey-Kellogg (IEEE ACM Trans. Comput. Biol. Bioinform., 2019)

TERMinator: A Neural Framework for Structure-Based Protein Design using Tertiary Repeating Motifs. - Alex J. Li; Vikram Sundar; Gevorg Grigoryan; Amy E. Keating (CoRR, 2022)