Christopher David Kara

Publications

Publications

My research has focused on machine learning, statistical mechanics and data-driven approaches to biomolecular dynamics, particularly the integration of molecular simulations with experimental data.

Earlier publications appear under the name Christopher Kolloff.

ORCID ↗

Peer-reviewed publications

Minimum-Excess-Work Guidance: Score-Based Sampling with Experimental Data or Sparse Restraints

Christopher Kolloff, Tobias Höppe, Emmanouil Angelis, Mathias Jacob Schreiner, Stefan Bauer, Andrea Dittadi, Simon Olsson

Journal of Chemical Theory and Computation
22(11), 5838–5848, 2026

Journal article

DOI ↗Publisher ↗

Conformational Quenching in an Engineered Lipocalin Protein Achieves High Affinity Binding to the Toxin Colchicine

Mark J. Bostock, Christopher Kolloff, Elena Jerschke, Sam Asami, Arne Skerra, Simon Olsson, Michael Sattler

Angewandte Chemie International Edition
64(50), e202515950, 2025

Journal article

DOI ↗Publisher ↗

Machine Learning in Molecular Dynamics Simulations of Biomolecular Systems

Christopher Kolloff, Simon Olsson

Comprehensive Computational Chemistry
Vol. 3, pp. 475–492, 2024

Book chapter

Rescuing Off-Equilibrium Simulation Data through Dynamic Experimental Data with dynAMMo

Christopher Kolloff, Simon Olsson

Machine Learning: Science and Technology
4, 045050, 2023

Journal article

DOI ↗Publisher ↗

Motional clustering in supra-τc conformational exchange influences NOE cross-relaxation rate

Christopher Kolloff, Adam Mazur, Jan K. Marzinek, Peter J. Bond, Simon Olsson, Sebastian Hiller

Journal of Magnetic Resonance
338, 107196, 2022

Journal article

DOI ↗Publisher ↗

Theses

Data-Driven Modeling of Biomolecular Dynamics under Physical and Experimental Constraints

Christopher Kara

Chalmers University of Technology
Doctoral thesis, 2026

PhD thesis

Unsupervised Learning of Biomolecular Dynamics with Multi-Modal Data

Christopher Kolloff

Chalmers University of Technology
Licentiate thesis, 2024

Licentiate thesis