Karl Lundquist

Karl Lundquist

Bioinformatics Data Scientist

Metapages

About me

I am passionate about leveraging data analytics and machine learning to tackle complex problems related to human health.

I have a BS and PhD in Physics / Computational Biology and completed a postdoc in structural biology. My academic work focused on high-performance computation, simulation, and cryoEM to elucidate the assembly mechanism of bacterial membrane proteins, aiding in the development of novel antibiotics. This research resulted in publications in Nature Communications (2021) and PNAS (2018), where I identified specific protein mechanisms relevant to antimicrobial resistance.

In my professional journey, I’ve sought out experiences that draw upon my scientific expertise while embracing modern AI/ML methods to positively impact human health. After completing a Fellowship at the NYC Data Science Academy, I began a role at Calyxt where I developed analytic tools to help researchers identify metabolic pathways in plants and optimize rare-compound production for pharmaceutical manufacturing.

At EMD Serono (Merck group), I developed algorithms leveraging ML models and NLP data from over 30 million publications, clinical trials, and patents to improve drug target prioritization for immune disorders. I also built custom web applications for visualizing gene “trendiness” scores to enable efficient drug-target prioritization.

Currently, I work as a Scientific Consultant at Metapages (Astera Institute), where I’m helping to develop an interactive computational biology platform that enables the easy creation and sharing of interactive scientific workflows.

My technical expertise includes Python (numpy, pandas, scikit-learn, pytorch, tensorflow, biopython, dash, plotly), R (DESeq2, Bioconductor, rshiny, dplyr, tidyr, ggplot2), ML/AI methods, cloud computing, molecular docking, protein modeling, and molecular dynamics simulations.

Interests
  • Molecular Dynamics Simulation
  • Drug Discovery
  • Computational Protein Design
Education
  • PhD in Physics and Chemistry, 2019

    Georgia Institute of Technology

  • MS in Physics, 2015

    Georgia Institute of Technology

  • BS in Physics and Mathematics, 2012

    University of Michigan

Projects

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AutoDock Vina Protein-Ligand Docking Pipeline
A modular, container-based workflow for molecular docking of chemical compounds to proteins using AutoDock Vina, with interactive 3D visualization of results
AutoDock Vina Protein-Ligand Docking Pipeline
CD20 Protein Binder Design
Development of a computational pipeline to design novel protein binders targeting CD20 using RFDiffusion, ProteinMPNN, and AlphaFold2
CD20 Protein Binder Design
SARS-CoV-2 Variant Analysis - NGS Bioinformatics Pipeline
Implementation of a scalable and reproducible bioinformatics pipeline for SARS-CoV-2 variant analysis using NGS techniques, containerization, and workflow automation to support viral genomic surveillance.
SARS-CoV-2 Variant Analysis - NGS Bioinformatics Pipeline
DLBCL Survival Analysis - RNA-seq Insights from TCGA-DLBC
Differential gene expression and pathway analysis of DLBCL patients using RNA-seq data from TCGA to identify molecular markers linked to survival.
DLBCL Survival Analysis - RNA-seq Insights from TCGA-DLBC

Experience

 
 
 
 
 
Scientific Consultant
August 2023 – Present
  • Developing an interactive computational biology platform that enables easy creation and sharing of scientific workflows
  • Implementing containerized computational environments for reproducible research
  • Creating modular analysis components for genomics and protein structure analysis
  • Applying deep learning approaches to protein design challenges
 
 
 
 
 
Bioinformatics Data Scientist
May 2023 – July 2023
  • Developed algorithms leveraging ML models to analyze over 30 million publications, clinical trials, and patents
  • Created text mining and time-series analysis pipelines to identify high-interest genes for drug target prioritization
  • Built custom web applications for visualizing gene “trendiness” scores to enable efficient decision-making
  • Implemented NLP methods to extract and analyze drug target information from scientific literature
 
 
 
 
 
Data Scientist
May 2022 – January 2023
  • Developed ML models to predict rearrangement of genetic elements that maximize production of rare compounds in plants
  • Created analytic tools to help researchers identify metabolic pathways in plants for pharmaceutical manufacturing
  • Implemented a data processing pipeline for analyzing plant metabolomics datasets
  • Collaborated with research teams to optimize experimental designs and analyze complex biological data
 
 
 
 
 
Postdoctoral Research Associate
September 2019 – April 2022
  • Elucidated assembly mechanisms of bacterial membrane proteins using cryo-electron microscopy and molecular dynamics
  • Published findings in Nature Communications (2021) and PNAS (2018) on protein mechanisms relevant to antimicrobial resistance
  • Developed high-performance computational simulations to study membrane protein-lipid interactions
  • Identified potential targets for novel antibiotic development through structural and functional analysis
 
 
 
 
 
PhD Candidate - Computational Biophysics
August 2013 – August 2019
  • Conducted research on bacterial outer membrane protein assembly using computational methods
  • Developed novel approaches to analyze protein-lipid interactions in complex membrane environments
  • Performed large-scale molecular dynamics simulations on high-performance computing clusters
  • Published multiple peer-reviewed papers on membrane protein folding and assembly

Publications

(2023). A partial human LCK defect causes a T cell immunodeficiency with intestinal inflammation. Journal of Experimental Medicine.

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(2022). Modeling intermediates of BamA folding an outer membrane protein. Biophysical Journal.

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(2022). Point Mutations in TbpA Abrogate Human Transferrin Binding in Neisseria gonorrhoeae. Infection and Immunity.

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(2021). Plasticity within the barrel domain of BamA mediates a hybrid-barrel mechanism by BAM. Nature Communications.

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(2021). Structure determination of membrane proteins using X-ray crystallography. Structure and Function of Membrane Proteins.

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(2021). The assembly of β-barrel membrane proteins by BAM and SAM. Molecular microbiology.

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(2020). BamA is required for autotransporter secretion. Biochimica et Biophysica Acta (BBA)-General Subjects.

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(2020). Molecular insight into TdfH-mediated zinc piracy from human calprotectin by Neisseria gonorrhoeae. Mbio.

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(2020). Presence of substrate aids lateral gate separation in LptD. Biochimica et Biophysica Acta (BBA)-Biomembranes.

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(2020). Structural insight into toxin secretion by contact-dependent growth inhibition transporters. Elife.

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(2019). A novel human IL2RB mutation results in T and NK cell--driven immune dysregulation. Journal of Experimental Medicine.

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(2019). Accelerating membrane simulations with hydrogen mass repartitioning. Journal of chemical theory and computation.

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(2018). C-terminal kink formation is required for lateral gating in BamA. Proceedings of the National Academy of Sciences.

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(2018). Diverse protein-folding pathways and functions of β-hairpins and β-sheets. Quantitative Models for Microscopic to Macroscopic Biological Macromolecules and Tissues.

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(2017). Structural basis for substrate selection by the translocation and assembly module of the β-barrel assembly machinery. Molecular microbiology.

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(2016). Accelerating the use of molecular modeling in the high school classroom with VMD Lite. Biochemistry and molecular biology education.

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(2016). Living on the edge: Simulations of bacterial outer-membrane proteins. Biochimica et Biophysica Acta (BBA)-Biomembranes.

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(2016). Structural and functional characterization of the LPS transporter LptDE from Gram-negative pathogens. Structure.

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(2013). Coupled internal-state and center-of-mass dynamics of Rydberg atoms in a magnetic guide. Physical Review A.

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(2012). Guiding of Rydberg atoms in a high-gradient magnetic guide. Physical Review A.

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