Molecular Origin of Polyglutamine Aggregation in Neurodegenerative Diseases. - Sagar D. Khare; Feng Ding 002; Kenneth N. Gwanmesia; Nikolay V. Dokholyan (PLoS Comput. Biol., 2005)

Computational design of ligand-binding proteins with high affinity and selectivity. - Christine E. Tinberg; Sagar D. Khare; Jiayi Dou; Lindsey Doyle; Jorgen W. Nelson; Alberto Schena; Wojciech Jankowski; Charalampos G. Kalodimos; Kai Johnsson; Barry L. Stoddard; David Baker 001 (Nat., 2013)

FireProt: Energy- and Evolution-Based Computational Design of Thermostable Multiple-Point Mutants. - David Bednar; Koen Beerens; Eva Sebestova; Jaroslav Bendl; Sagar D. Khare; Radka Chaloupkova; Zbynek Prokop; Jan Brezovsky; David Baker 001; Jirí Damborský (PLoS Comput. Biol., 2015)

CSAR Benchmark Exercise 2013: Evaluation of Results from a Combined Computational Protein Design, Docking, and Scoring/Ranking Challenge. - Richard D. Smith; Kelly L. Damm-Ganamet; James B. Dunbar Jr.; Aqeel Ahmed; Krishnapriya Chinnaswamy; James Delproposto; Ginger Kubish; Christine E. Tinberg; Sagar D. Khare; Jiayi Dou; Lindsey Doyle; Jeanne A. Stuckey; et al. (J. Chem. Inf. Model., 2016)

MFPred: Rapid and accurate prediction of protein-peptide recognition multispecificity using self-consistent mean field theory. - Aliza B. Rubenstein; Manasi A. Pethe; Sagar D. Khare (PLoS Comput. Biol., 2017)

MHCEpitopeEnergy, a Flexible Rosetta-Based Biotherapeutic Deimmunization Platform. - Brahm J. Yachnin; Vikram Khipple Mulligan; Sagar D. Khare; Chris Bailey-Kellogg (J. Chem. Inf. Model., 2021)