A Novel Algorithm for Non-Bonded-List Updating in Molecular Simulations. - Tatiana Maximova; Chen Keasar (J. Comput. Biol., 2006)

Computing transition paths in multiple-basin proteins with a probabilistic roadmap algorithm guided by structure data. - Tatiana Maximova; Erion Plaku; Amarda Shehu (BIBM, 2015)

Sample-based Models of Protein Structural Transitions. - Tatiana Maximova; Daniel Carr; Erion Plaku; Amarda Shehu (BCB, 2016)

Principles and Overview of Sampling Methods for Modeling Macromolecular Structure and Dynamics. - Tatiana Maximova; Ryan Moffatt; Buyong Ma; Ruth Nussinov; Amarda Shehu (PLoS Comput. Biol., 2016)

Statistical Analysis of Computed Energy Landscapes to Understand Dysfunction in Pathogenic Protein Variants. - Wanli Qiao; Tatiana Maximova; Erion Plaku; Amarda Shehu (BCB, 2017)

Reconstructing and mining protein energy landscape to understand disease. - Wanli Qiao; Tatiana Maximova; Xiaowen Fang; Erion Plaku; Amarda Shehu (BIBM, 2017)

Out of one, many: Exploiting intrinsic motions to explore protein structure spaces. - David Morris; Tatiana Maximova; Erion Plaku; Amarda Shehu (ICCABS, 2017)

Sample-Based Models of Protein Energy Landscapes and Slow Structural Rearrangements. - Tatiana Maximova; Zijing Zhang; Daniel Carr; Erion Plaku; Amarda Shehu (J. Comput. Biol., 2018)

Structure-Guided Protein Transition Modeling with a Probabilistic Roadmap Algorithm. - Tatiana Maximova; Erion Plaku; Amarda Shehu (IEEE ACM Trans. Comput. Biol. Bioinform., 2018)

Attenuating dependence on structural data in computing protein energy landscapes. - David Morris; Tatiana Maximova; Erion Plaku; Amarda Shehu (BMC Bioinform., 2019)