OSOluwatosin SaibuMolecular Simulation

About

PhD Candidate in Chemistry & Biochemistry

I'm a PhD candidate at New Mexico State University, advised by Dr. Marat Talipov, working at the intersection of molecular simulation, membrane protein biology, and computational drug discovery.

Education

Ph.D. in Chemistry and Biochemistry

New Mexico State University, USA

Advisor: Dr. Marat Talipov · Aug 2023 - Dec 2027 (expected)

M.S. in Chemistry

New Mexico State University, USA

Aug 2023 - May 2026

B.Tech. in Biochemistry

Ladoke Akintola University of Technology, Nigeria

2012 - 2018

Teaching

Founder & Lead Instructor, SimLab Academy

Cohort-based computational chemistry and MD courses with hands-on GPU labs · 2026 - present

Graduate Teaching Assistant, New Mexico State University

General Chemistry I & II laboratory sections · Aug 2023 - present

Skills

Molecular dynamics (GROMACS, CHARMM-GUI, MARTINI)Enhanced sampling & metadynamicsDensity Functional Theory (Gaussian, ORCA)Molecular docking & CADDWestern blotting, PCR, cell culturePython, R, Linux/HPC
Oluwatosin Abideen Saibu
HER2 membrane modeltrajectory-informed hypothesis

Awards

  • Winner, Biochemistry InterVarsity Competition, Ilorin (2016)

Professional affiliations

  • American Chemical Society (2023)
  • Society of General Physiologists (2024)
  • Nigerian Bioinformatics and Genomics Network (2020)

Career

Research Experience

Across four countries and six placements - from genotoxicity work in Germany to computational drug discovery in Nigeria to membrane protein simulation today.

USA · Aug 2023 - present

PhD Student

New Mexico State University

Lead computational studies of the HER2 receptor and Piezo ion channels using all-atom and coarse-grained molecular dynamics, bioinformatics, and enhanced sampling. Collaborate on computational drug discovery projects - phytoene as a tyrosinase inhibitor, NEK4 protein inhibitors - and conduct experimental research on cancer cell lines (MCF7, MDA-MB-231): protein extraction, Western blotting, PCR, and signaling pathway characterization.

Nigeria · May 2020 - Apr 2023

Research Assistant, Phytomedicine & Computational Biology Laboratory

Central Research Laboratory, Adekunle Ajasin University

Therapeutic target and biomarker discovery, lead compound identification, and computer-aided drug design against cancer, SARS-CoV-2, and neurodegenerative diseases - homology/pharmacophore modeling, molecular docking, virtual screening, QSAR, MM-GBSA/MM-PBSA, and molecular dynamics.

Netherlands · Oct 2021 - Feb 2022

Research Assistant, Toxicology Laboratory

Vrije Universiteit (VU) Amsterdam

Evaluated the pharmacological and toxicological effects of pesticides on invertebrates.

Germany · May 2020 - Sep 2021

Research Intern, Dept. of Molecular Genetics

University of Duisburg-Essen

Elucidated chromosomal aberrations and DNA damage resulting from toxicant exposure in cultured fibroblasts and mammalian cell lines, including Chinese Hamster Ovary (CHO) cells, via designed genotoxicity experiments.

Nigeria · Mar 2018 - Oct 2019

Research Assistant, College of Medicine

University of Lagos

Extraction, purification, and qualitative/quantitative assay of phytochemicals, including enzymatic and toxicological profiling.

Nigeria · Feb 2017 - Nov 2017

Research Assistant

Nigerian Institute of Medical Research, Yaba, Lagos

Genomic DNA/RNA extraction, DNA Sanger sequencing, gel electrophoresis, PCR, in vitro culture, and ELISA.