Work Experience:
2022-present
Associate Professor (Chemistry), Manipal University Jaipur (India).
2020-present
Assistant Director (Directorate of Academics), Manipal University Jaipur (India).
2017-2002
Assistant Professor (Chemistry), Manipal University Jaipur (India).
2013-2017
Post Doctoral researcher, Università degli Studi di Cagliari (Italy).
Brief description of work: The general goal of this work is to understand the permeability barrier imposed by the outer membrane of the gram-negative bacteria. In particular, we are working to quantify the role of the porins in the translocation of antibiotics into the periplasmic space of Pseudomonas aeruginosa.
2009-2013
Research Associate/PhD student in a DFG funded project, Jacobs University Bremen (Germany).
Brief description of work: My Ph.D. project mainly focuses on molecular dynamics simulations of amphiphilic triblock co-polymer Pluronics (and their oligomers) in various biological environments. The course of work includes forcefield parameterization of small ethers, polyethers & Pluronic molecules and validation of the forcefields in different solvent conditions. I studied the properties of ethers and polymers at lipid bilayer interface and other simpler interfaces (air/water and water/oil interfaces). Besides conventional simulation methods, I applied steered molecular dynamics simulations and umbrella sampling methods to study percolation of the aforementioned ether and polyether molecules inside DMPC lipid bilayer. I also investigated on the efficiency of amphiphilic block co-polymers as carriers for hydrophobic drugs and their effect on small peptides and proteins.
2007-2009
Junior Research Fellow, University of Hyderabad (India).
Brief description of work: During this research project, I designed novel high energy density molecules which may have application as propellants. With the help of computational techniques standardized in the group itself (using ab-initio and semi-emperical methods), we predicted their physical (e.g., density, heat of formation) and explosive properties (e.g., velocity and pressure of detonation).
2022-present
Associate Professor (Chemistry), Manipal University Jaipur (India).
2020-present
Assistant Director (Directorate of Academics), Manipal University Jaipur (India).
2017-2002
Assistant Professor (Chemistry), Manipal University Jaipur (India).
2013-2017
Post Doctoral researcher, Università degli Studi di Cagliari (Italy).
Brief description of work: The general goal of this work is to understand the permeability barrier imposed by the outer membrane of the gram-negative bacteria. In particular, we are working to quantify the role of the porins in the translocation of antibiotics into the periplasmic space of Pseudomonas aeruginosa.
2009-2013
Research Associate/PhD student in a DFG funded project, Jacobs University Bremen (Germany).
Brief description of work: My Ph.D. project mainly focuses on molecular dynamics simulations of amphiphilic triblock co-polymer Pluronics (and their oligomers) in various biological environments. The course of work includes forcefield parameterization of small ethers, polyethers & Pluronic molecules and validation of the forcefields in different solvent conditions. I studied the properties of ethers and polymers at lipid bilayer interface and other simpler interfaces (air/water and water/oil interfaces). Besides conventional simulation methods, I applied steered molecular dynamics simulations and umbrella sampling methods to study percolation of the aforementioned ether and polyether molecules inside DMPC lipid bilayer. I also investigated on the efficiency of amphiphilic block co-polymers as carriers for hydrophobic drugs and their effect on small peptides and proteins.
2007-2009
Junior Research Fellow, University of Hyderabad (India).
Brief description of work: During this research project, I designed novel high energy density molecules which may have application as propellants. With the help of computational techniques standardized in the group itself (using ab-initio and semi-emperical methods), we predicted their physical (e.g., density, heat of formation) and explosive properties (e.g., velocity and pressure of detonation).
Education
Ph.D. (Chemistry) 2009–2013
Jacobs University Bremen, Germany Thesis title: “Theoretical Study of the Interaction of Amphiphilic Block Co-polymers with Biological Interfaces and Small Molecules” |
M.Sc. (Chemistry) 2005–2007
Sikkim Manipal University of Health, Medical and Technological Sciences, India |
B.Sc. (Chemistry) 2001–2005
R.K.M.R. College, Narendrapur (University of Calcutta), India |
Publications: For relevant and up-to-date information, please follow:
- Google Scholar: https://scholar.google.co.in/citations?hl=en&user=oRNF8MYAAAAJ
- SCOPUS: https://www.scopus.com/authid/detail.uri?authorId=54401671700
Academic Skills:
- Extensive experience in molecular dynamics simulations using ACEMD, GROMACS software packages and working knowledge of NAMD, AMBER software packages.
Experienced in forcefield parameterization and validation.
Besides conventional MD simulations, experienced in constrained simulation methods such as, metadynamics, steered molecular dynamics simulation and umbrella sampling method.
Basic knowledge of simulation at coarse-grained level.
Fluent in free-energy calculations. - Extensive experience in membrane simulations and simulations at the interfaces.
Fluent in simulation of polymers, drug molecules, peptides and proteins. - Good command over quantum mechanical calculations using Gaussian03 and Molden.
Extensive experience in visualization software packages viz., VMD, Gaussview, Rasmol, Pymol, Mercury etc. - Fluent in plotting and image editing softwares e.g., XMGRACE, GNUPLOT, GIMP etc.
- Programming and scripting languages known: FORTRAN, AWK.
- Advanced experience in Unix/Linux, Windows and fluent in MacOS.
Highly experienced in MS-Office suite and have working knowledge of Latex.
Languages spoken:
English
Full professional proficiency |
Bengali
Native language |
Hindi
Native/bilingual proficiency |
German/Italian
Elementary proficiancy |