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Group Members
 

Postdocs

  1. Dr. Timir Hajari : timir

Ph.D Students

  1. Uday Shankar Midya : uday

  2. Prabir Khatua : prabir

  3. Sandip Mondal : sandip

  4. Souvik Mondal : souvik

  5. Krishna Prasad Ghanta : krishna

  6. Nayanika Chakraborty: nayanika

M.Sc. Students

  1. Shenoy Gaurav Narasinha

  2. Supratik Sarkar

Group Alumni

  1. Dr. Jnanojjal Chanda (PhD): 2006
    Thesis Title: Molecular dynamics simulations of surfactant aggregates at interfaces and the effects of ethanol on a model phospholipid membrane

  2. Dr. Sudip Chakraborty (PhD): 2009
    Thesis Title: Computer simulation studies of folded native and partially unfolded structures of a protein in aqueous solution

  3. Dr. Sudipta Kumar Sinha (PhD): 2011
    Thesis Title: Molecular dynamics studies of proteins and a protein-DNA complex in aqueous solutions

  4. Dr. Madhurima Jana (PhD): 2012
    Thesis Title: Computer simulation studies of the hydration properties of cyclodextrins and a protein-carbohydrate complex

  5. Dr. Somedatta Pal (PhD): 2014
    Thesis Title: Hydration properties of barstar in its native and unfolded forms from computer simulation studies

  6. Dr. Kaushik Chakraborty (PhD): 2015
    Thesis Title: Atomistic simulation studies of single-stranded DNA oligomers and their complexes with proteins

  7. Dr. Madhulika Gupta (PhD): 2018
    Thesis Title: Computational studies of folding free energy landscapes of peptides, their hydration behavior and metal surface deactivation

  8. Rajesh Kumar (M. Sc.): 2001-2002
    Aurigene Discovery Technology Limited
    Bangalore
    Thesis Title: Monolayer of monododecyl di-oxyethylene glycol surfactants adsorbed at the air/water interface: A molecular dynamics study

  9. Sreenivas Shreenath (M. Sc.): 2003-2004
    Ocimum Biosolutions
    Hyderabad
    Thesis Title: Computer simulation studies of surfactants adsorbed at an interface

  10. Rajeev Ranjan Singh (M. Sc.): 2005-2006
    Thesis Title: Dynamics of water at the surface of a DNA molecule in aqueous solution

  11. Himanshu Shekhar (M. Sc.): 2006-2007
    Thesis Title: A computer simulation study of the propeties of 1:1 methanol/water mixture

  12. Abhishek (M. Sc.): 2007-2008
    Thesis Title: Microscopic properties of 1:1 mixture of water and ethanol: A molecular dynamics simulation study

  13. Pranavjeet (M. Sc.): 2007-2008
    Thesis Title: Molecular dynamics simulation of liquid water using different potential models

  14. Prerit Srivastava (M. Sc.): 2008-2009
    Thesis Title: Molecular dynamics study of the hydration properties of beta-cyloodextrin nano-channel

  15. Abhinav Srivastava (M. Sc.): 2008-2009
    Thesis Title: A molecular dynamics study of water/carbon tetrachloride interface

  16. Soumen Mistri (M. Sc.): 2009-2010
    Thesis Title: Hydration properties of alanine from simulation studies

  17. Mantha Sriteja (M. Sc.): 2010-2011
    Thesis Title: Molecular dynamics study of a single-stranded DNA molecule in aqueous solution

  18. Uday Shankar Midya (M. Sc.): 2010-2011
    Thesis Title: Interaction between a polar amino acid residue and water from molecular dynamics simulations

  19. Prabir Khatua (M. Sc.): 2011-2012
    Thesis Title: Microscopic hydration properties of single-stranded DNA molecules with different base sequences

  20. Hemanta Basak (M. Sc.): 2012-2013
    Thesis Title: Hydration behavior of threonine at different temperatures and concentrations

  21. Surve Sai Jagdish (M. Sc.): 2012-2013
    Thesis Title: Molecular dynamics studies of a single-stranded DMG molecule in aqueous media

  22. Pritam Roy (M. Sc.): 2013-2014
    Thesis Title: Trehalose-water interactions from molecular simulation studies

  23. Rasenjit Ghosh Dastidar (M. Sc.): 2013-2014
    Thesis Title: Microscopic hydration properties of amyloid-beta peptide monomer (10-35)

  24. P. Kalakar Naik (M. Sc.): 2014-2015
    Thesis Title: Conformational fluctuations and water structuring around different full-length A-beta(42) monomer conformations

  25. Ambuj Tiwari (M. Sc.): 2014-2015
    Thesis Title: Microscopic properties of water hydrating an intrinsically disordered protein

  26. Araghni Bhattacharya (M. Sc.): 2015-2016
    Thesis Title: Effect of trifluoro ethanol on conformational behavior of A-beta (10-35) peptide monomer

  27. Diship Srivastava (M. Sc.): 2015-2016
    Thesis Title: Hydration behavior of barnase from molecular dynamics simulation

  28. Twinkle Soni (M. Sc.): 2016-2017
    Thesis Title: Preferential interactions of Neopentane with osmolytes in Urea and Trimethylamine N-Oxide mixed solvent environment

  29. Sushil Topno (M. Sc.): 2016-2017
    Thesis Title: The impact of monovalent cations on the conformation of ss-DNA dodecamer: A molecular dynamics study

  30. Supratik Sarkar (M. Sc.): 2017-2018
    Thesis Title: Role of osmolytes on the unfolded structure of the protein barstar

  31. Shenoy Gaurav Narasinha (M. Sc.): 2017-2018
    Thesis Title: The early stages of aggregation of non-amyloid beta component (NAC) of alpha-synuclein from molecular simulation studies

 

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