• Gender: Male
• Age: 46
• Designation: Senior Executive
• Highest Education Level: Doctrate
• Preferred Country: India
• Preferred Location: Mumbai
• Work Experience: 16.3 Year(s)

Education

PhD Chemical Tulane University, New Orleans, USA with 3.807/4.0 in 2010

M.Chem in Chemical Engineering from Engineering from Institute of Chemical Technology, University of Mumbai, (UDCT), with 2005 in 61.5/100

B. E. in Chemical Engineering from K.K. Wagh College of Engineering University of Pune with 69.3/100 in 2003

Skill Sets

Molecular simulation & modeling software: Schrodinger, Dock 6.3, Modeller, AMBER, GROMACS, VMD
Quantum calculation Software: Gaussian
Languages: FORTRAN, C, C++, MATLAB, Python, Mathematica, Gnuplot
Scripting: Perl and bash shell
Computer networking: Server control and management on Linux cluster
Large scale computation: Louisiana Optical Network Initiative (LONI) cluster computing
Lab: UV spectrofluorometer, Gas chromatography, two phase titration for surfactant analysis, Conductivity meter, pH meter, Kinetic microplate reader
Molecular simulation & modeling software: Schrodinger, Dock 6.3, Modeller, AMBER, GROMACS, VMD
Quantum calculation Software: Gaussian
Languages: FORTRAN, C, C++, MATLAB, Python, Mathematica, Gnuplot
Scripting: Perl and bash shell
Computer networking: Server control and management on Linux cluster
Large scale computation: Louisiana Optical Network Initiative (LONI) cluster computing

Work Experience

Post Doctoral Research Associate
July 2010 to present
Company Profile: During the fifty-four years since the elucidation of the structure of DNA, there has been a remarkable increase in the pace of biological discovery.

Research Assistant
Jan 2006 to June 2010
Teaching Assistant
Jan 2006 to May 2006
Tulane University

RESEARCH PROJECT WORKED ON:
Postdoctoral Researcher:
Free energy perturbation analysis for relative binding free energy calculation: Computational methodology development for screening of pharmaceutically important compounds (ligands) and evaluating relative binding affinity of ligand to receptor. Novel methodology to predict absolute binding free energy of ligand-protein has been developed here in BioMaPS Institute. One step perturbation in interaction by mutating one ligand to another gives relative binding free energy of several ligands while using single compound simulation data.
A) Have expertise on using novel binding energy distribution analysis methodology (BEDAM) to calculate absolute binding free energy of benzene/toluene to receptor T4 lysozyme.
B) Have developed free energy perturbation equations on top of BEDAM method and have programmed resulting formalism in FORTRAN to compute accurate relative binding free energy of benzene compare to toluene.
PhD in Chemical & Bio molecular Engineering:
Dissertation: “Solvent and Biomolecular interactions guiding assembly and recognition”
1. Molecular scaled particle theory to get free energy of cavity solvation in organic compound: A recent extension of scaled-particle theory for cavity solvation in polyatomic solvents developed by Ashbaugh and Pratt [J. Phys. Chem. B 111, 9330 (2007)] is tested against molecular simulation statistics. This molecular scaled-particle theory incorporates the intramolecular structure of the solvent in the calculation of the cavity excluding volume, compared with traditional applications of scaled-particle theory where the solvent is treated as an individual hard sphere with no internal structure.
A) Modeling of organic solvent compounds and simulation
B) Written codes to evaluate chemical potential for topologically different hydrocarbons-linear alkanes, branched alkanes, aromatic ring, ether, alcohol, and amide.
2. Simulation analysis of peptide secondary structure stabilization by conjugation of poly ethylene glycol to find underlying mechanism: Conjugation of polymer to protein increases helical structure stability and simulation analysis will ultimately provide insights into the enhancement of receptor binding, improvement of protease resistance, and paves the way for the development of protein-based drugs.
A) Modeling of conjugated protein-polymer macromolecule.
B) MD Simulation and subsequent distribution function analysis for mechanism identification.
C) Prototype homopolymer of polyalanine modeling and simulation analysis.
3. Simulation identification of amino acid sequence responsible for antigen (ligand)-antibody binding: To increase the binding affinity and specificity of the antibody for operating in best detection regime, identification of binding mechanism is the important input.
A) Successful modeling of immune response antibody and metal-ligand complex.
Subsequent MD simulation to explore the binding mechanism involved in the antigen-antibody binding.
B) Distribution function of individual amino acids in binding pocket with antigen is obtained. Hydrogen bonding and electrostatic interaction of carboxylate group in antigen with polar amino acid are mechanism of binding in system.
C) Based on these results mutational experiments have been conducted.
D) Experience with homology modeling protein database such as BLAST and sequence-structure fitting via MODELLER.
4. Experimental design of membrane ultra filtration for separation of metal-surfactant complex. Optimized pressure, pH and salt concentration to operate in better rejection regime
Teaching Assistant, Chemical and Bio molecular Engineering Department
Tulane University, New Orleans, LA
Guided undergraduate students to carry out investigative experiments in “Unit Operations lab”
Provided instruction and assistance to undergraduate students for course “Transport Processes”
Gained leadership experience, public speaking skills and ability to communicate complex ideas to students at different academic levels

Future Goals

Developed model for protein-polyethylene glycol conjugate for simulation analysis of stable structure