Jared Sampson
Principal Scientist, Life Sciences Software at Schrödinger
New York, New York, United States
Summary
👤
Senior🎓
Top SchoolJared Sampson is a Principal Scientist in life sciences software with 14 years of experience at the intersection of structural biology, molecular dynamics, and computational biophysics. He combines hands-on X-ray crystallography and protein biochemistry with advanced free-energy perturbation and MD simulations to guide antibody and protein-interface design. At Schrödinger he translates cutting-edge computational methods into software that informs therapeutic discovery, building on PhD work in antibody–receptor complexes and Toll-family receptors. His programming fluency (Python, C/C++, R) and contributions to the PyMOL script repository reflect a practical focus on molecular visualization and automation. Based in New York, he leverages deep experimental credibility—from HIV vaccine-related structural work to studies of β-lactamase—to validate and refine in silico predictions. Outside the lab he brings creative balance as an active actor and singer, a detail that hints at strong communication and presentation skills uncommon in technical scientists.
13 years of coding experience
13 years of employment as a software developer
Bachelor of Arts - BA, Chemistry, Spanish, Bachelor of Arts - BA, Chemistry, Spanish at Case Western Reserve UniversityDoctor of Philosophy - PhD, Structural Biology & Computational Chemistry, Doctor of Philosophy - PhD, Structural Biology & Computational Chemistry at Columbia University
Spanish
Github Skills (8)
plugin-development10
visual10
visualization10
visualizations10
visualize10
python10
scripting10
numpy9
Programming languages (8)
Github contributions (5)
Pymol-Scripts/Pymol-script-repo
Jun 2012 - Dec 2019
Collected scripts for Pymol
Role in this project:
Backend Developer
Backend DeveloperContributions:17 commits, 6 PRs, 13 comments in 7 years 7 months
Contributions summary:Jared primarily contributed to the `pymol-script-repo` by modifying Python scripts related to the PyMOL molecular graphics system. The commits involved adding comments to improve code clarity, reverting changes to `transformations.py`, and integrating new plugins and functionalities such as `mtsslWizard.py`, `inertia_tensor.py`, and `colorblindfriendly.py`. These actions suggest the user's focus on extending and modifying PyMOL's capabilities through script-based automation and plugin development.
scriptpythonpython-scriptspymol
jaredsampson/pymol-scripts
Nov 2016 - Feb 2025
Collected scripts for Pymol
Contributions:25 pushes, 7 branches in 8 years 4 months
scriptpythonpython-scriptspymol
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