Projects
Ongoing
Ongoing
- Design, Synthesis, and DNA Interaction Studies With Novel Photosensitizer Molecules as Efficient Photodynamic Therapeutic Reagents (Funded by DBT)
- In Silico studies on Peptide Nucleic acids toward their stabilities with metal ions, nanoclusters/modified backbones and exploiting the PNA for biosensing of DNA, RNA with metals/Hydrocarbon surfaces (Funded by DBT)
- Molecular Recognition: Receptors for Biomarkers and for Probing Bio-chemical & Molecular Processes (Funded by DST)
Completed
Completed
- In Silico studies to understand the interactions and design of reversible and irreversible proton pump inhibitors to H+, K+-APTase using quantum chemical studies and molecular dynamics simulation (Funded by BRNS)
- Pores and Channels by Assembly of Cyclic peptides: Design, Molecular Modeling and Synthesis (Funded by DST, India and MESS, Croatia)
- Theoretical Investigations of Adsorption Additives onto the Crystal Surface of Sodium Chloride and on other alkali halides (Funded by DST)
- Acetylcholinesterase (AChE) Inhibitors: the Neurotoxic Phosphotriesterase Substrates and Related Nerve Reagents- Conformation, Dynamics, Hydrolysis and the Therapeutic Pharmacophores. (Funded by DAE-BRNS)
- Understanding the Reactivation of Organophosphate Inhibited Acetylcholinesterase (AChE) with Nucleophiles and Examining Competing Aging Processes (Funded by DST)
- Design, Synthesis, and DNA Interaction Studies With Novel Photosensitizer Molecules as Efficient Photodynamic Therapeutic Reagents (Funded by DBT)
- Studies on the dynamics of the electron/energy transfer in multicomponent Ru(II)-trisbipyridyl or porphyrin derivatives and interfacial electron transfer (Funded by DAE-BRNS)
- Centre for excellence for computational chemistry: An integrated tool for multi-scale simulation to design materials, processes and simulation of molecular recognition process in biology (Funded by CSIR)