our vision
Advancing (bio)macromolecular materials design by pioneering multiscale computational methods and elucidating spatiotemporal organization principles

Our research

involves the investigation of:

  • Thermodynamic and kinetic control over (bio)macromolecular assemblies through modification of molecular building blocks (e.g. proteins) and environmental factors
  • Fundamental structure-dynamics-function relationships in biological systems to inspire emergent biomaterial properties or to identify novel biomedical strategies
  • Multiscale computational algorithms (e.g. coarse-graining) to enable biomolecular simulations that require time and length scales inaccessible to atomic-resolution simulations
See our publications

Our team

includes a diverse cohort of undergraduate students, graduate trainees, and postdoctoral scholars across chemical engineering, materials science, chemistry, applied mathematics, and quantitative biosciences at Colorado School of Mines (Golden, CO).

See Our Team

Recent Publications

Formalizing Coarse-Grained Representations of Anisotropic Interactions at Multimeric Protein Interfaces Using Virtual Sites
L.F. Christians, E.V. Halingstad, E. Kram, E.M. Okolovitch, A.J. Pak, "Formalizing Coarse-Grained Representations of Anisotropic Interactions at Multimeric Protein Interfaces Using Virtual Sites," J. Phys. Chem. B, 128 (2024), 1394-1406
Computational prediction of coiled-coil protein gelation dynamics and structure
D. Britton, L.F. Christians, C. Liu, J. Legocki, Y. Xiao, M. Meleties, L. Yang, M. Cammer, S. Jia, Z. Zhang, F. Mahmoudinobar, Z. Kowalski, P.D. Renfrew, R. Bonneau, D.J. Pochan, A.J. Pak, J.K. Montclare, "Computational prediction of coiled-coil protein gelation dynamics and structure," Biomacromolecules, 25 (2024), 258-271
SlyB encapsulates outer membrane proteins in stress-induced lipid nanodomains
A. Janssens, V.S. Nguyen, A.J. Cecil, S.E. Van der Verren, E. Timmerman, M. Deghelt, A.J. Pak, J.-F. Collet, F. Impens, H. Remaut, "SlyB encapsulates outer membrane proteins in stress-induced lipid nanodomains," Nature, 626 (2024), 617-625

Recent News

Alex gives a seminar at AMS Mines
December 9, 2022

Alex visited the Department of Applied Mathematics and Statistics at Colorado School of Mines to give a seminar!

Alex gives a seminar at UC Denver
December 2, 2022

Alex visits the Department of Chemistry at the University of Colorado Denver to give a seminar!

Ethan officially joins the lab as a Master's student!
August 29, 2022

Ethan, a former undergraduate research in LMAC, officially joins as a Master's Thesis student!