Computational Structural Biology
Lipi Thukral
Scientist-F |
Decision Unit 3: Chemical Biology
Professor |
Academy of Scientific and Innovative Research
Lipi Thukral uses a broad range of computational and theoretical methods to explore the structure, dynamics, and function of biomolecules.
She is Interested In
- Molecular motions of proteins and lipids and their role in supra-molecular assemblies
- Mechanisms of lipid-modified proteins in membrane signaling
- Modeling approaches for protein–ligand interaction motifs
She routinely uses high-performance computing to perform molecular dynamics simulations and collaborates closely with experimental groups to interpret complex molecular data and guide future experiments.
Selected Publications
All Citations →- Altered TMPRSS2 usage by SARS-CoV-2 Omicron impacts tropism and fusogenicity. Meng B, … Thukral L, … Sato K, Gupta RK. Nature 2022 Mar;603(7902):706-714.
- Genomic characterization and epidemiology of an emerging SARS-CoV-2 variant in Delhi, India. Dhar MS, … Thukral L, … Cherian SS. Science 2021 Nov 19;374(6570):995-999.
- A rigorous framework for detecting SARS-CoV-2 spike protein mutational ensemble from genomic and structural features. Fatihi S, Rathore S, Pathak A, Gahlot D, Mukerji M, Jatana N, Thukral L. Curr Res Struct Biol. 2021;3:290-300.
- Human LC3 and GABARAP subfamily members achieve functional specificity via specific structural modulations. Jatana N, Ascher DB, Pires DEV, Gokhale RS, Thukral L. Autophagy. 2020 Feb;16(2):239-255.
- Specific Cholesterol Binding Drives Drastic Structural Alterations in Apolipoprotein A1. Ray A, Ghosh A, Chakraborty R, Upadhyay SK, Maiti S, Sengupta S, Thukral L. J Phys Chem Lett. 9(20):6060-6065.