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R.V. College of Engineering
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Publications (69)
- QuPepFold: A python package for hybrid quantum-classical protein folding simulations with CVaR-optimized VQE Save
- Computational modeling and optimization of scFv-based receptors to support CAR-T design targeting CD19 for enhanced binding robustness and reduced off-target propensity Save
- Quantum-Enabled Protein Folding of Disordered Regions in Ubiquitin C via Error-Mitigated VQE Benchmarked on Tensor Network Simulator and Aria 1 Save
- In Silico Discovery of Tanshinone I, a Diterpenoid from Salvia miltiorrhiza (Danshen), as a Dual Antiviral Natural Inhibitor Targeting Conserved Allosteric Sites of HMPV and HRSV RNA-Dependent RNA Polymerases Save
- Molecular dynamics simulation and docking studies reveals inhibition of NF-kB signaling as a promising therapeutic drug target for reduction in cytokines storms Save
- In silico exploration natural compounds for the discovery of novel DNMT3A inhibitors as potential therapeutic agents for acute myeloid leukemia Save
- Computational theories shaping the future of drug discovery: Significance of computer-aided drug discovery Save
- Advanced strategies in Quantitative Structure Activity Relationship (QSAR) modeling: Methods, applications, and future directions Save
- Computational Theories Shaping the Future of Drug Discovery Save
- Advanced Strategies in Quantitative Structure Activity Relationship (QSAR) Modeling Save