Tools for treatment high res mass spectrum of natural organic matter samples

A fitting and analysis python package to complement lignin-KMC

Animation of a lignin dimer entering a lipid bilayer.

Academic portfolio focused on biomaterials, lignin-based systems, alginate hydrogels, controlled drug delivery, and GitHub documentation practice.

Large-scale Kinetic Models of Pseudomonas putida KT2440 for Muconic Acid Production from Lignin-based Aromatics

Forward kinetic-Monte-Carlo generator that predicts native lignin linkage inventories (β-O-4, β-5, β-β, β-1, 5-5, 4-O-5) from monomer composition, with calibration and cross-validation.

HDBSCAN clustering for identification of states with lignin dimers bound to cyclodextrin from molecular dynamics simulations

Computational audit pipeline for the v9 Cu-lignin DFT manuscript (ORCA 6.1.1, B3LYP-D3(BJ)/def2-TZVP)

Animation of a lignin dimer binding to a beta-cyclodextrin.

Multi-omics workflows for metagenomic and metatranscriptomic analyses of subtropical peat (Everglades Agricultural Area, USA) soils investigating lignin degradation, soil organic carbon cycling, and microbial functional ecology using dbCAN3, KofamScan, CAMPer, and HiPerGator.

Models in the paper: https://pubs.acs.org/doi/full/10.1021/acssuschemeng.2c05199