NUSRAT JAHAN
Computational Chemist
Starkville,MS
Summary
Motivated and self-driven Computational Chemist with 5-year experience in research. Solid background and expertise in developing force-fields and carry out all-atom MD simulations to find out optimum solvent compositions for lignin solvation. Besides, I am trained by Schrodinger online courses to conduct computer aided drug design and drug discovery, which gave me the opportunity to get hand-on training on Schrodinger Suites. Experience in developing workflow for computer aided drug design from a large library of ligands for target molecules. I am well-organized multitasker with leadership, strategic planning, decision-making abilities, actively looking for research and development position utilizing my experience in molecular modeling, cheminformatics, bioinformatics, and computational chemistry or a postdoctoral position.
Overview
5
5
years of professional experience
1
1
Certification
Work History
Graduate Research Assistant
MISSISSIPPI STATE UNIVERSITY
Starkville, MS
05.2018 - Current
- Developed computational simulation to find out optimum solvent composition for lignin solvation
- Apply all-atom Molecular Dynamic simulation by GROMACS, NAMD/VMD
- Experience in working with supercomputing environment i.e
- HPCC, XSEDE(Stampde2), NERSC(Cori)
- Used computer software i.e
- Python, R to perform descriptive and multivariate statistical analyses of data
- Drew up new research proposals to apply for computational resources
SCHRODINGER TRAINING COURSES
12.2021 - 05.2022
- Apply the virtual screening concepts, including docking, active learning, and shape screening
- Understand and demonstrate methods of post-screening analysis, including; filtering, clustering, diversity enhancement, and comparison of scoring functions
- Complete a case study covering the HTVS process with 1L2S target molecule and PLK1 target molecules
- After successful structure-based screening find potential HITs for 1L2S target molecules
- Modeling Protein-ligand poses in hit identification and optimization
- Ligand-based virtual screening in preparation for SAR
- Combining modeling and experimental data for SAR development
- Drug discovery case study on VEGFR2
Research Assistant
BANLADESH UNIVERSITY OF ENGINEERING AND TECHNOLOGY
Dhaka
11.2014 - 05.2015
- Involved in industrial plant process designing by ASPEN HYSYS
- Researched and compiled information to assist staff with special projects
- Evaluated work procedures, schedules, and workflow to recommend policy and procedural updates
- Attended industry events and conferences to network with other businesses.
Education
PhD - Chemical Engineering Candidate
MISSISSIPPI STATE UNIVERSITY
Bachelor of Science (B.S - Chemical Engineering
BANGLADESH UNIVERSITY OF ENGINEERING
Skills
Experience in developing workflow for computer aided drug design from a large library of ligands for target molecules
Experience in Molecular Dynamics (Gromacs, VMD/NAMD) and QM simulation (CP2K, Gaussian)
Experience working on cluster systems, Unix, Linux
Quantitative structure activity relationships (QSAR), Structure-based and ligand-based drug design
Experience in in-silico docking and scoring calculations
Data analysis with python, R, SQL, tableau, google sheet
Research and scientific communication, Problem solving, Leadership, Analytical thinking
Latex, MS office suite
- Research and analysis
- Literature reviews
- Research design
- Technical Writing
Certification
Introduction to Molecular Modeling in Drug Discovery, Schrödinger, Issued Dec 2021
High-Throughput Virtual Screening for Hit Finding and Evaluation, Schrödinger, Issued May 2022
Learn Docking and Molecular Dynamics Simulation from Scratch, Udemy, issued Dec 2021
Analyze Data Quickly and Easily with Python's Powerful Pandas Library Udemy, Issued Nov 2021
Complete Course on Data visualization, Matplotlib and Python Udemy, Issued Nov 2021
Python Data analysis and visualization Bootcamp Udemy, Issued Nov 2021
Learn SQL for data Analysis with Google Big query, Udemy, issued Feb 2022
Google Data Analytics Certificate, Coursera, Issued May 2022
Work Availability
monday
tuesday
wednesday
thursday
friday
saturday
sunday
morning
afternoon
evening
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Quote
There is a powerful driving force inside every human being that, once unleashed, can make any vision, dream, or desire a reality.
Tony Robbins
Timeline
SCHRODINGER TRAINING COURSES
12.2021 - 05.2022
Graduate Research Assistant
MISSISSIPPI STATE UNIVERSITY
05.2018 - Current
Research Assistant
BANLADESH UNIVERSITY OF ENGINEERING AND TECHNOLOGY
11.2014 - 05.2015
PhD - Chemical Engineering Candidate
MISSISSIPPI STATE UNIVERSITY
Bachelor of Science (B.S - Chemical Engineering
BANGLADESH UNIVERSITY OF ENGINEERING
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