Kristoffer Enøe Johansson

I am interested in development of methods and technology at the single molecule scale. Natures most elaborate systems function on molecular level and the study of these enables us to exploit such systems to address the current environmental and technological challenges. I have worked with computational models of protein structure, dynamics and design including the development of simulation software based on advanced Monte Carlo techniques and Bayesian networks. My primary programming skills are within C++, Python, bash and R and I have a broad understanding of experimental techniques for synthesis, production and analysis of molecular systems.

I am currently working as a postdoc in the Computational Pharmaceutical Materials Science Group, dept. of Pharmacy, University of Copenhagen.

Research Projects

Changing Scales in Computational Materials Science

This project seeks to push the limits of calculations from first principles. In collaboration with Avant-garde Materials Simulation, we characterise the energy landscape of specific molecules in order to increse the accuracy of simulations without compromising speed.

Principal investigator: Jacco van de Streek

Funding: The Villum Foundation

Period: 2013-2016

Computational Protein Design

As my PhD project, I implemented a computational pipeline for de novo protein design. Numerous designs from this pipeline have been characterized experimentally in the biomolecular branch of the project. For this project, I both characterized state-of-the-art computational methods as well as developed a novel method that can overcome perhaps the most limiting bottelneck of current methods.

Principal investigator: Jakob R. Winther

Funding: Danish Council for Independent Research, FTP

Period: 2009-2012

Probing the Protein Folding Energy Landscape

As my Masters project, I developed a Monte Carlo based method to probe the folding energy landscape of proteins. This method is extreemly efficient and enabled us to probe the folding energy landscape of the SH3 domain in few days using a single CPU. The method uses the FoldX energy function.

Principal investigator: Jesper Ferkinghoff-Borg

Period: 2006-2008


Ph.D. in Computational Biology, jointly supervised by

Cand.scient. (MSc) in Nanotechnology from the Nano-Science Center and Niels Bohr Institute at University of Copenhagen.


Kristoffer Enøe Johansson

Computational Materials Science

Department of Pharmacy

Universitetsparken 2

DK-2100 Copenhagen Ø

Building 13, office 327

Phone: +45 353-20016