Welcome to Computational Chemistry & Biophysics Group @ IISER Pune
Ph. D. positions are available for students motivated to do computational research in chemical and biological physics.
Amal's work published in ACS Applied Bio Materials:
"Targeting RdRp of SARS-CoV-2 with De Novo
Our Collaborative work accepted in Chemical Science:
"Engineered vitamin E-tethered non-immunogenic facial lipopeptide for developing improved siRNA based
combination therapy against metastatic breast cancer."
Chemical Science (accepted).
Sreyas was awarded the "Best MS Thesis Award" in Chemistry.
Sreyas's work Published in Angewandte Chemie "Electrostatically Directed Long-Range Self-Assembly of Nucleotides with Cationic Nanoparticles to Form Multifunctional Bioplasmonic Networks."
Abhijit succesfully defended his PhD thesis
The first paper in machine learning from our group got published in the Cell Press journal Patterns “Accurate Prediction of B-form/A-form DNA Conformation Propensity from Primary Sequence: A Machine Learning and Free energy Handshake” Patterns (in press)
* Single water entropy
* Protein DNA intercalation
* Origin of internal friction
* DNA Drug Recrossing
* Origin of azeotrope mixture
* Drug Design
* Conformation change in prior protein
* Bending Mechanism of organic crystals
* Curvature of Biological Macro molecules
* DNA conformation using Machine learning
Research Efforts at IISER Pune against COVID-19
Our work on COVID-19
Atomistic de-novo inhibitor generation guided drug repurposing for SARS-CoV-2 spike protein with free energy validation by well-tempered metadynamics