Department of Organic Chemistry, Indian Institute of Science, Bangalore 560012
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B.Sc. (2007): Hindu College, University of Delhi, India
M.Sc. (2009): University of Delhi, India
Ph.D. (2015): Indian Institute of Technology Bombay, India (Thesis Advisor: Prof. R. B. Sunoj)
March 2019 to present: Assistant Professor, Department of Organic Chemistry, Indian Institute of Science Bangalore, India
June 2015- June 2018: Postdoctoral research associate at the University of Southern California, USA (Prof. Arieh Warshel)
We are a computational chemistry group working in problems relevant to both chemistry and biology.
1) Understanding promiscuity of metalloenzymes and terpene synthases using QM cluster and QM/MM methods to open up new avenues in enzyme design. Role of metals and mutations in engineered myoglobins.
2) Machine learning methods to understand directed evolution and the thread that links it with conformational dynamics and enzyme promiscuity.
3) Role of solvents in controlling the reaction outcome using ab initio dynamics.
- Jindal, G.; Slánská, K.; Kolev, V.; Damborsky, J.; Prokop, Z.; Warshel, A. ‘Exploring the Challenges of Computational Enzyme Design by Destroying and Rebuilding the Active Site of Dehalogenase’ Proc. Natl. Acad. Sci. U. S. A. 2019, DOI: 10.1073/pnas.1804979115.
- Jindal G.; Warshel, A. ‘Exploring the Dependence of QM/MM Calculations of Enzyme Catalysis on the Size of the QM Region’ J. Phys. Chem. B 2016, 120, 9913.
- Jindal, G.; Sunoj, R. B. ‘On the Importance of Ligand Exchanges in Pd(II)-Brønsted Acid Cooperative Catalytic Approach to Spirocyclic Rings’ J. Am. Chem. Soc. 2014, 136, 15998.
- Jindal, G.; Sunoj, R. B. ‘Axially Chiral Imidodiphosphoric Acid Catalyst for Asymmetric Sulfoxidation Reaction: Insights on Asymmetric Induction’ Angew. Chem. Int. Ed. 2014, 53, 4432.
- Jindal, G.; Sunoj, R. B. ‘Mechanistic Insights on Cooperative Asymmetric Multicatalysis using Chiral Counterions’ J. Org. Chem. 2014, 79, 7600.