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Journal of Biomolecular Structure & Dynamics|October 18, 2021
Exploring the interaction mechanism between potential inhibitor and multi-target Mur enzymes of mycobacterium tuberculosis using molecular docking, molecular dynamics simulation, principal component analysis, free energy landscape, dynamic cross-correlation matrices, vector movements, and binding free energy calculationMadhulata Kumari, Ruhar Singh, Naidu SubbaraoNanotechnology|October 20, 2020
Combination therapy of biogenic C-dots and lysozyme for enhanced antibacterial and antibiofilm activityAnirudh Singh, Arushi Verma, Ruhar Singh, et al.Journal of Biomolecular Structure & Dynamics|July 15, 2017
Elucidation of stable intermediates in urea-induced unfolding pathway of human carbonic anhydrase IXAmresh Prakash, Gunjan Dixit, Naveen Kumar Meena, et al.Journal of Biomolecular Structure & Dynamics|November 21, 2019
Delineating the conformational dynamics of intermediate structures on the unfolding pathway of β-lactoglobulin in aqueous urea and dimethyl sulfoxideRuhar Singh, Naveen Kumar Meena, Trishala Das, et al.Scientific Reports|October 11, 2022
Arylcoumarin perturbs SARS-CoV-2 pathogenesis by targeting the S-protein/ACE2 interactionRuhar Singh, Abhijeet Kumar, Jitendra Subhash Rane, et al.Research Square|February 5, 2024
Ensemble-based design of tau to inhibit aggregation while preserving biological activitySofia Bali, Ruhar Singh, Pawel M Wydorski, et al.Journal of Biomolecular Structure & Dynamics|August 8, 2017
Solvent sensitivity of protein aggregation in Cu, Zn superoxide dismutase: a molecular dynamics simulation studyAmresh Prakash, Vijay Kumar, Preeti Pandey, et al.Frontiers in Molecular Neuroscience|May 13, 2022
Computational Insights of Unfolding of N-Terminal Domain of TDP-43 Reveal the Conformational Heterogeneity in the Unfolding PathwayRuiting Li, Ruhar Singh, Tara Kashav, et al.The Journal of Biological Chemistry|September 15, 2023
Anti-tau antibodies targeting a conformation-dependent epitope selectively bind seedsBrian D Hitt, Ankit Gupta, Ruhar Singh, et al.Structure (London, England : 1993)|December 6, 2025
Amyloid-motif-dependent tau self-assembly is modulated by isoform sequence contextSofia Bali, Pawel M Wydorski, Ruhar Singh, et al.Pageof 2