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Christof Jäger
PeerJ Editor & Reviewer
1,105 Points

Contributions by role

Reviewer 70
Editor 1,035

Contributions by subject area

Theoretical and Computational Chemistry
Biophysical Chemistry
Physical Chemistry (other)
Bioinformatics
Computational Biology
Drugs and Devices
Pharmacology
Computational Science
Nanomaterials and Nanochemistry
Biophysics
Catalysis
Kinetics and Reactions
Thermodynamics and Statistical Mechanics
Physical Organic Chemistry
Biochemistry
Infectious Diseases
Molecular and Collisional Dynamics

Christof M Jäger

PeerJ Editor & Reviewer

Summary

I am a computational chemist and data scientist and group leader at AstraZeneca. My research activities all share the motivation to bring the power of computational chemistry to new chemical problems in pharmaceutical research and beyond, to fundamentally understand properties and functions of organic molecules, to reveal hidden chemical questions and to promote solutions for chemical challenges and focus on the development and application of efficient and transferable computational techniques and workflows.
Past and present research involved multi-disciplinary research in the areas of reactivity prediction, catalysis, biotechnology, bio-organic, colloid, and radical chemistry, molecular self-assembly and supramolecular chemistry, ion effects, and molecular electronics in organic electronic devices.

Following my undergraduate studies of Molecular Science I received my PhD in Computational Chemistry from the University of Erlangen-Nuernberg, Germany in 2010. I then worked as a Postdoc for the Cluster of Excellence Engineering Advanced Materials (EAM) until 2014, when I joined the Sustainable Process Technology (SPT) Research Group in in the Faculty of Engineering of the University of Nottingham, first as an EU and UoN funded fellow, then as Assistant Professor in Biotechnology and Computational Chemistry. In September 2022 I joined AstraZeneca in Gothenburg / Sweden to work in predictive computational chemistry and data science within the Pharmaceutical Science department.

Bioinformatics Biomolecules Biotechnology Catalysis Computational Biology Green Chemistry Physical Organic Chemistry Radicals & Ions Supramolecular Chemistry Theoretical & Computational Chemistry Thermodynamics & Statistical Mechanics

Editorial Board Member

PeerJ - the Journal of Life & Environmental Sciences
PeerJ Physical Chemistry
PeerJ Organic Chemistry

Past or current institution affiliations

Nottingham University

Work details

Principal Scientist, Data Science, Computational Chemistry

AstraZeneca
September 2022
Department of Chemical and Environmental Engineering

Director, Data Science and Modelling

AstraZeneca
Pharmaceutical Sciences

Websites

  • Google Scholar
  • ORCID
  • publons profile
  • HP, Blog
  • Figshare

PeerJ Contributions

  • Edited 6
  • Reviewed 2

Academic Editor on

December 5, 2023
Genetic algorithm-based re-optimization of the Schrock catalyst for dinitrogen fixation
Magnus Strandgaard, Julius Seumer, Bardi Benediktsson, Arghya Bhowmik, Tejs Vegge, Jan H. Jensen
https://doi.org/10.7717/peerj-pchem.30
March 16, 2022
Fast and automated identification of reactions with low barriers using meta-MD simulations
Maria H. Rasmussen, Jan H. Jensen
https://doi.org/10.7717/peerj-pchem.22
August 9, 2021
Designing of the N-ethyl-4-(pyridin-4-yl)benzamide based potent ROCK1 inhibitors using docking, molecular dynamics, and 3D-QSAR
Suparna Ghosh, Seketoulie Keretsu, Seung Joo Cho
https://doi.org/10.7717/peerj.11951 PubMed 34434664
December 15, 2020
New insights into the mechanism of Schiff base synthesis from aromatic amines in the absence of acid catalyst or polar solvents
Pedro J. Silva
https://doi.org/10.7717/peerj-ochem.4
September 29, 2020
Fast and automatic estimation of transition state structures using tight binding quantum chemical calculations
Maria H. Rasmussen, Jan H. Jensen
https://doi.org/10.7717/peerj-pchem.15
February 13, 2020
Path sampling for atmospheric reactions: formic acid catalysed conversion of SO3 + H2O to H2SO4
Christopher D. Daub, Enrico Riccardi, Vesa Hänninen, Lauri Halonen
https://doi.org/10.7717/peerj-pchem.7

Signed reviews submitted for articles published in PeerJ Note that some articles may not have the review itself made public unless authors have made them open as well.

May 17, 2021
Using a genetic algorithm to find molecules with good docking scores
Casper Steinmann, Jan H. Jensen
https://doi.org/10.7717/peerj-pchem.18
December 2, 2019
Spectrometric and computational studies of the binding of HIV-1 integrase inhibitors to viral DNA extremities
Léa El Khoury, Krystel El Hage, Jean-Philip Piquemal, Serge Fermandjian, Richard G. Maroun, Nohad Gresh, Zeina Hobaika
https://doi.org/10.7717/peerj-pchem.6