Alain Mutangana
Doctor Of Philosophy (Biochemistry)
St. John's,NL
Summary
Computational biochemist specializing in structure-based drug design and molecular dynamics simulations. Currently a PhD student pioneering novel therapeutic strategies against the rising threat of antibiotic resistance in highly pathogenic multidrug-resistant bacteria by integrating computational methodologies with organic macromolecular glyco-chemistry. Developing a comprehensive pipeline for drug discovery ranging from molecular modeling and mechanistic studies to docking and rational inhibitor design. Award-winning scientific communicator with proven ability to translate the complexity of scientific findings into accessible narratives. Committed to bridging computational predictions with experimental validation to accelerate development of clinically viable therapeutics.
Overview
4
4
years of professional experience
3
3
Languages
6
6
years of post-secondary education
Work History
Doctor of Philosophy (Biochemistry)
Memorial University of Newfoundland
08.2024 - Current
- Conducted literature reviews and bioinformatics analyses including sequence alignment, homology modeling, and secondary structure prediction to identify and validate protein structure.
- Designed and executed molecular dynamics simulations of native-like complexed membrane protein systems using coarse-grain and all-atom approaches to investigate protein interactions, dynamics and drug-target interactions
- Performed molecular docking studies to evaluate ligand-protein binding interactions and identify promising drug candidates with optimal binding affinity and specificity
- Analyzed biomolecular binding interactions and structural dynamics using Python and Linux-based computational tools for drug target validation
- Maintained computational infrastructure by installing and optimizing specialized software packages and resolving technical issues to support laboratory research operations
- Communicated research findings through technical reports and presentations, emphasizing translational impact on drug discovery and global health outcomes
Computational Biochemistry Research Assistant
Memorial University of Newfoundland
08.2023 - 11.2023
- Performed molecular dynamics simulations to investigate structural conformational of an intrinsically disordered glycosylation enzyme that plays a vital role in cancer progression
- Analyzed simulation trajectories using specialized MD analysis tools and Python-based packages to identify key structural features and potential drug-targeting sites for cancer therapeutics.
- Validated computational models against experimental data to ensure accuracy of structural predictions.
- Developed custom scripts and workflows to automate repetitive analysis tasks
- Organized and curated structural databases for ongoing research projects
- Visualized and communicated simulation results using molecular visual graphics software and data presentation techniques at conferences, research meetings, and supervisory discussions
Organic Chemistry Lab Assistant
Memorial University of Newfoundland
07.2021 - 04.2022
- Synthesized target compounds through multi-step organic reactions including N-formylation and dehydration, with expertise in purification techniques such as liquid-liquid extraction and column chromatography
- Characterized chemical structures using NMR spectroscopy and prepared analytical reports with industry-standard software including GraphPad Prism, ChemDraw, and MsExcel
- Performed analytical techniques including TLC for reaction monitoring and compound purity assessment with quantitative yield calculations
- Collaborated with team members to troubleshoot synthetic routes, optimize experimental protocols, and manage multiple concurrent experiments
- Evaluated literature methods and adapted synthetic procedures to overcome experimental challenges and achieve target molecules
- Ensured GLP-compliant operations by adhering to safety regulations (SDS/WHMIS) and quality control standards, maintaining accurate documentation and reproducible results
Education
Ph.D. - Biochemistry
10.2025 - Current
- My PhD research continues my master's investigation of a critical bacterial inner membrane-associated glycosyltransferase as a novel therapeutic target against bacterial antibiotic resistance. My project employs a comprehensive computational pipeline including: QM/MM calculations for mechanistic elucidation of the enzymatic catalytic pathway, extensive molecular docking and virtual screening of compound libraries, molecular dynamics simulations to assess binding stability and protein-ligand interactions, ADMET profiling and pharmacokinetic analysis, free energy calculations (MM-PBSA/MM-GBSA) for binding affinity predictions, and identification of synthesizable clinical drug candidates with optimal drug-like properties.
Master of Science - Computational Biochemistry
08.2024 - 10.2025
- My research investigates novel drug target to effectively combat bacterial antibiotic resistance using computational modeling and analysis
- Maintained strong academic performance (GPA of 4.0/4.0) while completing advanced coursework including Pan-Canadian Computational Chemistry (PC3), Molecular Biology of Cancer, Graduate Research Skills, and Biochemistry Seminar
- Delivered oral presentation on research findings at the Annual Scientific Endeavours in Academia Conference, St. John's, NL (April 2025).
- Presented poster at the International Women's Day Conference, St. John's, NL (March 2025) and Canadian Chemistry Conference, Ottawa (June 2025)
- Served as teaching assistant for multiple undergraduate courses
- Supervised and mentored undergraduate research students that were working on different projects in our lab-group.
- Active member of Memorial University Biophysics Club (MUBs) and Biochemistry Graduate Society (BCGS)
- Member of Canadian Glycomics Network (GlycoNet) since May 2025
Bachelor of Science - Honours in Biochemistry, Minor in Chemistry
05.2019 - 04.2024
- Graduated with Honours degree in Biochemistry, maintaining a strong academic record
- Defended Honours dissertation: "Using Computational Biochemistry to Accurately Predict The 3D Structure Of N-acetylglucosaminyltransferase III"
- Awarded Best Departmental Presentation for Biochemistry/Nutrition at the Annual Scientific Endeavours in Academia Conference (April 2023)
Skills
Multi-resolution molecular dynamics simulations and docking for drug-target analysis
undefinedAccomplishments
- Best Biochemistry/Nutrition Presentation (Undergraduate), Scientific Endeavours in Academia Conference (April 2023)
- Presentation on membrane protein structural insights using MD simulations, Virtual Winter School on Computational Chemistry (January 2025)
- Poster presentation on WaaL as antibiotic drug target, International Women's Day Conference (March 2025)
- Journal club presentation on multi-resolution modeling methodologies, Memorial University Biophysics (March 2025)
- Oral presentation on WaaL structure and function in Gram-negative bacteria, Scientific Endeavours in Academia Conference (April 2025)
- Won Top 10 Poster Presentation Award, Canadian Chemistry Conference and Exhibition (June 2025)
CONTACT
Phone number: +1(709)-330-4306
Personal email: allan.mutangana@gmail.com
Work email: amutangana@mun.ca
Timeline
Memorial University of Newfoundland - Ph.D., Biochemistry
10.2025 - Current
Memorial University of Newfoundland - Master of Science, Computational Biochemistry
08.2024 - 10.2025
Doctor of Philosophy (Biochemistry) - Memorial University of Newfoundland
08.2024 - Current
Computational Biochemistry Research Assistant - Memorial University of Newfoundland
08.2023 - 11.2023
Organic Chemistry Lab Assistant - Memorial University of Newfoundland
07.2021 - 04.2022
Memorial University of Newfoundland - Bachelor of Science, Honours in Biochemistry, Minor in Chemistry
05.2019 - 04.2024