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Hire Senal L.

United States

USD 50 /hr

Doctoral Student in Computational Chemistry | Molecular Dynamics, Molecular Docking, Free energy calculations, DFT

Profile Summary

Over the last five years, I have been gathering proficiency in both theoretical and practical aspects of computational chemistry, including different molecular modeling techniques and task automation using Bash / Python scripting. I am also comfortable in working with a variety of computer aided ligand and structure-based drug design platforms. Since my time as an undergraduate working towards identifying natural product derivatives as inhibitors of AChE / BuChE, and as a postgrad, where I evaluated reaction kinetics of enzymatic hydrolysis through DFT, I have paved my path to becoming a well-groomed computational chemist. I am confident that the knowledge and experience I have gathered through my academic career can be projected towards the drug design pipeline.

Subject Matter Expertise

• ☆ Mathematical Chemistry
• ☆ Nanotechnology & Nanomaterials
• ☆ Physical Chemistry
• ☆ Molecular Modeling
• ☆ Molecular Docking
• ☆ Chemoinformatics
• ☆ Biopolymers
• ☆ Theoretical Chemistry
• ☆ Thermochemistry
• ☆ Computational Chemistry
• ☆ Physical Organic Chemistry
• ☆ Computational Biology
• ☆ Python
• ☆ LaTex
• ☆ Drug Discovery
• ☆ Drug Target Identification
• ☆ Hit-to-Lead & Lead Optimization
• ☆ Structure-Activity Relationship (SAR) Studies

Services

• Writing
• Research
• Consulting
• Data & AI

Research Scientific and Technical Research, Systematic Literature Review

Consulting Scientific and Technical Consulting

Data & AI Predictive Modeling, Algorithm Design-Non ML, Data Visualization, Data Processing

Work Experience

Graduate Teaching Assistant

Mississippi State University

January 2020 - Present

Graduate Teaching Assistant

Mississippi State University

January 2020 - Present

Graduate Research and Teaching Assistant

Institute of Chemistry Ceylon

December 2017 - December 2019

Education

Doctorate in Physical Chemistry

Mississippi State University

January 2020 - Present

PhD in Chemistry (Department of Chemistry)

Mississippi State University

January 2020 - Present

MPhil in Theoretical and Computational Chemistry

University of Colombo

June 2018 - May 2022

Bachelors, Chemistry

Institute of Chemistry Ceylon

January 2014 - January 2018

Certifications

• Certification details not provided.

Publications

JOURNAL ARTICLE

Senal D. Liyanage, Dinara Gunasekera, Chinthaka N. Ratnaweera (2024). Harnessing the anti-cancer potential of linamarin: A computational study on design and hydrolysis mechanisms of its derivatives . Journal of Molecular Graphics and Modelling.

Senal D. Liyanage, R.M. Oshani Nayanathara, Weiqi Leng, Xiang Wang, Lu Wang, Jinwu Wang, Zhenhua Tian, Charles U. Pittman, Jr., Steven R. Gwaltney, Xuefeng Zhang (2023). A general Metal-Ion-Modification route for preparing hydrophobic paper and tableware from lignocellulose fibers . Chemical Engineering Journal.

Uthpala S. Deshapriya, D. L. Senal Dinuka, Pamoda B. Ratnaweera, Chinthaka N. Ratnaweera(2021). In silico study for prediction of novel bioactivities of the endophytic fungal alkaloid, mycoleptodiscin B for human targets . Journal of Molecular Graphics and Modelling. 102. p. 107767. Elsevier {BV}