Theodore Fobe
NRC Postdoctoral Research Fellow at National Institute of Standards and Technology (NIST)
Boulder, Colorado, United States
Summary
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Senior🎓
Top SchoolTheodore Fobe is a postdoctoral researcher and NRC Fellow combining nine years of molecular simulation expertise with experimental hydrogen-deuterium exchange to probe kinase activation and regulation at CU Boulder and NIST. With a PhD in Chemical Engineering, he applies enhanced sampling and free-energy methods to bridge atomistic molecular dynamics and experimental data, elucidating conformational shifts between active and inactive kinase states. His doctoral work on synthetic foldamers under Michael Shirts explored structure formation across atomistic and coarse-grained models, giving him a rare dual focus on biological and non-biological macromolecular folding. Known for integrating rigorous simulation workflows with software development, he accelerates sampling of long-timescale events like ERK2 activation pathways. Based in Boulder, he brings a collaborative track record with national labs and a penchant for translating complex biophysical problems into tractable computational experiments.
9 years of coding experience
9 years of employment as a software developer
High School, General Studies, High School, General Studies at Sherwood High schoolMontgomery CollegeThe University of Maryland, College ParkDoctor of Philosophy - PhD, Chemical Engineering, Doctor of Philosophy - PhD, Chemical Engineering at University of Colorado Boulder
English, French
Stackoverflow
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0reached
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Github Skills (28)
statistical-mechanics8
python8
parameterization8
spin8
converting8
molecular-simulation8
interoperability7
computational-chemistry7
high-energy-physics7
molecular-dynamics-simulation7
statistical-physics7
computational-fluid-dynamics6
yank6
science6
deep-learning6
Programming languages (5)
Github contributions (5)
shirtsgroup/terphenyl_simulations
Sep 2023 - Feb 2026
Repository for storing simulation input files and analysis code for terphenyl simulations
Contributions:3 reviews, 11 PRs, 82 pushes in 2 years 5 months
shirtsgroup/cg_pyrosetta
May 2019 - Nov 2022
A python package which enables CG residues in a working version of PyRosetta
Contributions:2 releases, 176 commits, 48 PRs in 3 years 6 months
python
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