Aarhus Universitets segl

Gruppemedlemmer

Academic staff

Birgit Schiøtt

Professor 2009 - Email: birgit@chem.au.dk  Office: 1510 - 416

Birgit is a professor at the Department of Chemistry at Aarhus University and head of the Biomodelling Group. Birgit started her group back in 2001 and the Biomodelling group were the first to incorporate molecular dynamics simulations for research purposes in Denmark. The group quickly grew to become one of the largest theoretical chemistry groups in Denmark. Birgit's independent research revolves around computational chemistry studies of enzymes, pharmaceuticals, lipids, cell membranes, and proteins, and embraces the fields of biochemistry, nanoscience, neurochemistry, data science and biophysics. The aim is to contribute to the development of new pharmaceuticals, understand the underlying mechanisms, and elucidate the dynamic properties of proteins and their physiological relevance.  

Anna Louise Duncan

Assistant professor 2022 -  Email: anna.duncan@chem.au.dk  Office: 1510 - 413

Anna is an assistant professor at the Department of Chemistry, and she joined Aarhus University in 2022. Anna obtained her PhD in Cambridge, which is where she first started using simulations; her thesis was on protein-lipid interactions within mitochondrial membranes. [She trained as a mathematician, so this was a totally new direction, launching her into the field of biochemistry.] She then went on to do a postdoc in Oxford with Mark Sansom, who specializes in membrane protein simulations. She is currently setting up her new group, which will look at the organization and function of biological membranes. For more information see profile at Aarhus University

Nils Anton Berglund

Assistant professor 2020 - Email: nab@chem.au.dk  Office: 1510 - 421

Nils is an assistant professor in the Biomodelling Group but started as a postdoc back in 2016. Nils performed his PhD research at Southampton University and at the Bioinformatics Insitute of Singapore. Nils is currently still involved in student supervision and grant writing but have started to transition into industry. Nils is employed at Kvantify, which is a company operating in the quantum computing software field, working with business development and strategic partnerships with life sciences and drug discovery. For more information see profiles at Aarhus University and LinkedIn

Postdocs

Lorena Zuzic

Postdoc 2021 - Email: lorena.zuzic@chem.au.dk Office: 1510 - 421

Lorena is a postdoc in the Biomodelling Group, where she has been working since October 2021. Lorena obtained her PhD in chemistry from the University of Manchester with a research placement at A*STAR Singapore in the group of Professor Jim Warwicker and Dr. Peter J. Bond studying viral envelopes and pH-dependent conformational change. Her current research revolves around mechanism of transport in human and plant systems, which is funded by the Lundbeck Foundation. For more information see profiles at Aarhus University and LinkedIn.  

Vincent Nieto

Postdoc 2023 - Email: vincent.nieto@chem.au.dk  Office: 1510 - 421

Vincent started as a postdoc in the Biomodelling Group in March 2023 and is researching to find potential peptide candidates for the Sortilin receptor that prevents shedding in low cholesterol environments with funding from the Lundbeck foundation. Vincent received his PhD from University of Lyon where he studied biogenesis of lipid droplets in the MOBI group headed by Dr. Luca Monticelli.  For more information see profiles at Aarhus University and LinkedIn

Kasper Busk Pedersen

Postdoc 2023 - Email: kasperbusk@chem.au.dk  Office: 1510 - 419

Kasper obtained his PhD in the Biomodelling Group in 2020-2023 after completing his Master’s degree in nanoscience from the Biomodelling Group. From November 2023 he has been employed as a post doc in the group. Kasper is studying coarse-grained force fields and is interested in the development of lipid and protein models. He is applying the same methods in studying heterogeneous enzymes, funded by the Independent Research Fund Denmark in collaboration with Novozymes A/S. For more information see profiles at Aarhus University and LinkedIn

PhD students

Amanda Dyrholm Stange

PhD student 2021 - 2024 Email: ads@chem.au.dk  Office: 1510 - 421

Amanda is a PhD student in the Biomodelling Group and her research focuses on the dynamics of the Insulin receptor. Amanda started her PhD in September 2021 after finishing her Master’s degree in medicinal chemistry from the Biomodelling Group at Aarhus University. Her research is supported by the Novo Nordisk Foundation. For more information see profiles at Aarhus University and LinkedIn

Lasse Messell Desdorf

PhD student 2023 - 2026 Email: lade@chem.au.dk  Office 1510 - 419

Lasse started as a PhD student in September 2023 in the Biomodelling Group after he finished his Master’s degree in nanoscience. His research revolves around modelling and studying the dynamics of the bicarbonate transporter, Ncbe, which is an interdisciplinary collaboration with Professor Jeppe Prætorius. The project is funded by Aarhus University Research Foundation NOVA. For more information see profiles at Aarhus University and LinkedIn

Master's students

Tommy Rosendahl

Master's student 2023 - 2024 Email: tr@dandrite.au.dk  Office: 1510 - 419

Tommy is a Master’s student in the Biomodelling Group and he began working on his project in September 2023, which focuses on optimizing drug discovery efforts by implementing sophisticated docking algorithms. Tommy got his bachelor's degree in chemistry from Poul Nissen’s laboratory, where he worked on time-resolved microcrystal diffraction. For more information see profile at LinkedIn

Research assistants

Mikkel Dahl Andreasen

Research assistant 2023 - 2024 Email: mda@chem.au.dk  Office 1510 - 421

Mikkel is a research assistant in the Biomodelling Group after obtaining his Master’s degree in nanoscience. He is working on developing computational tools for simulations, which is funded by Aarhus University Research Foundation NOVA. For more information see profiles at Aarhus University and LinkedIn

Alumni

2023

Ilias Patmanidis
  • Degree: Postdoc
  • Project: Coarse grain protein modelling
Sofie Thomsen
  • Degree: Project student
  • Project: The Influence of Obesity on the Insulin Receptor’s Transmembrane Domain Dimerization

2022

Ditlev Høj Hansen
  • Degree: M.Sc.
  • Project: Binding of allosteric modulators to the follicle-stimulating hormone receptor
Julie Aae Lorentsen
  • Degree: M.Sc.
  • Project: Computational studies of the interactions of SORT1 with NSG1 and NSG2 with and without ectodomains
Georg Baadsgaard Trolle
  • Degree: M.Sc.
  • Project: A Computational Investigation of the Re-purposing of a Glucagon-like Peptide-1 Receptor Agonist and Analogues for the Glucagon Receptor
Cecilie Hjernøe Sønnichsen
  • Degree: M.Sc.
  • Project: Challenges in simulating complex membranes containing cannabinoid receptor 1

2021

Lisbeth Thorup Ravnkilde
  • Degree: Ph.D.
  • Project: Computational modelling of the Glucagon receptor and Nanodiscs

2020

Rebekka Koch
  • Degree: M.Sc.
  • Project: Computational study of the dimerization of the 5-HT2A and 5-HT2C receptors
Talia Zeppelin
  • Degree: Ph.D.
  • Project: Computational Studies of the Human Monoamine Transporters
Pier Paolo Poier
  • Degree: Ph.D.
  • Project: Formulation and Development of a Novel Bond Capacity Charge Polarization Model

2019

Mikkel Christensen
  • Degree: Ph.D.
  • Project: Amyloids

2018

Lucy Kate Ladefoged
  • Degree: Ph.D.
  • Project: Computational modeling of the serotonergic synapse
Anders Haagen Beck Frederiksen
  • Degree: M.Sc.
  • Project: Peptid dimerization
Kristina Nyrup Kristensen
  • Degree: M.Sc.
  • Project: NMDA
Maximillian Alexandre Ambroise
  • Degree: M.Sc.
  • Project: Optimizing Basis Sets for Computational Core Level Spectroscopy

2017

Balazs Nagy
  • Grad: Postdoc
  • Efterfølgende ansættelse: Research Associate på University of Szeged
  • Projekt: Polariserbare kraftfelter
Xavier Periole
  • Grad: Postdoc
  • Projekt: Membran proteiner
Siri Søndergaard
  • Grad: Ph.D.
  • Efterfølgende ansættelse: IT konsulent hos Netcompany
  • Projekt: G-quadruplexes

2016

Anne Laustsen
  • Grad: M.Sc.
  • Efterfølgende ansættelse: Selvstændig
  • Projekt: Enzymes
Mikkel Vestergaard
  • Grad: Ph.D.
  • Efterfølgende ansættelse: IT developer hos BEC
  • Projekt: Antimikrobielle peptider
Ole Juul Andersen
  • Grad: Ph.d.
  • Efterfølgende ansættelse: IT Konsulent hos Netcompany
  • Projekt: Serine Protease Inhibitor og amyloid dannelse
Trine Kristensen
  • Grad: M.Sc.
  • Projekt:  Nye inhibitorer til Serotonin Transporter.
Julie Grouleff
  • Grad: Ph.d.
  • Efterfølgende ansættelse: Teknologisk Institut
  • Projekt: Neurotransmittere

2015

Katrine Kirkeby Skeby
  • Grad: Ph.D.
  • Efterfølgende ansættelse: Postdoc på Digizyme
  • Projekt: Computational Modelling of the Human Islet Amyloid Polypeptide.
Renuka Jesuthasan
  • Grad: M.Sc.
  • Projekt: Abeta fibrils
Sheeba Jem Irudayam
  • Grad: Postdoc
  • Projekt: A-Beta fibrils
Sofie Jakobsen
  • Grad: Ph.D.
  • Efterfølgende ansættelse: Bioinformatic Scientist at QIAGEN
  • Projekt: Less is More: Reducing the Redundancy in Force Field Electrostatics

2013

Iwona Siuda
  • Grad: Ph.D.
  • Efterfølgende ansættelse: Postdoc på University of Calgary
  • Projekt: domELNEDIN, SERCA, leucine binding protein og saposin lignende proteiner
Jesper Hagelskjær
  • Grad: B.Sc
  • Projekt:  Forudsigelse af reaktionsraten for tryptofans oxidering via singlet oxygen ved brug af elektronstrukturmetoder
Maria Risager Jensen
  • Grad: M.Sc.
  • Efterfølgende ansættelse: Videnskabelig assistent på Aarhus Universitet
  • Projekt: Statiner som integrin ligand bindende antagonister
Siri Øfsthus Goksøyr
  • Grad: B.Sc.
  • Projekt: Uncompetitive inhibitor til human neutrophil elastase med computer simulering

2012

Heidi Koldsø
  • Grad: Ph.D.
  • Efterfølgende ansættelse: Postdoc på Oxford Universitet
  • Projekt: hSERT og Fas4
Kasper Monrad
  • Grad: B.Sc.
Johan Frederik Kraft
  • Grad: Ph.D.
  • Efterfølgende ansættelse: Danske Bank
  • Projekt: Phenylpiperazine docking i hSERT og coarse-grain lipid- og peptid-simuleringer
Lea Thøgersen
  • Stilling: Associate Professor
  • Efterfølgende ansættelse: CLC bio

2011

Susanne Salzmann
  • Stilling: Postdoc
  • Efterfølgende ansættelse: Schrödinger (software firma der laver programmer til computerbaseret kemi)
  • Projekt: Komplement komponent system
Henriette Elizabeth Autzen
  • Grad: M.Sc.
  • Efterfølgende ansættelse: Ph.D. studerende ved PUMPKIN Centret på Aarhus Universitet
  • Projekt: Den humane serotonin transporter
Rune Carlsson
  • Grad: B.Sc.
  • Projekt: Komplement komponent system
Jesper Sørensen
  • Grad: Ph.D.
  • Efterfølgende ansættelse: Postdoc på UCSD (University of California, San Diego)
  • Projekt: Chymosin, lipid coarse grain og amyloid fibril formation
Mette Alstrup Lie
  • Stilling: Postdoc
  • Efterfølgende ansættelse: Postdoc på Institut for Fysik og Astronomi på Aarhus Universitet
  • Projekt: Attached Water Model
Eleonora S. Paulsen
  • Grad: Gæste-Ph.D. fra Farma på Københavns Universitet
  • Projekt: Thapsigargin og SERCA
Maria Musgaard
  • Grad: Ph.D.
  • Efterfølgende ansættelse: Postdoc på Oxford Universitet
  • Projekt: SERCA
Rebecca Sørensen
  • Grad: B.Sc.
  • Projekt: Binding til DNA baser

2010

David S. Palmer
  • Stilling: Postdoc
  • Efterfølgende ansættelse: Postdoc på Max-Planck Instituttet i Leipzig
  • Projekt: Chymosin og normal mode teknikker
Peter Paulsen
  • Grad: B.Sc.
  • Efterfølgende ansættelse: Ph.D. studerende ved PUMPKIN centret på Aarhus Universitet
  • Projekt: Monoamin Transportere
Thomas Krupsdal
  • Grad: M.Sc.
  • Efterfølgende ansættelse: CLC bio
  • Projekt: MVD/Glide Virtual Docking sammenligning
Esben Fisker
  • Grad: B.Sc.
  • Projekt: MVD/Glide Virtual Screening sammenligning
Kristoffer Basse
  • Grad: B.Sc.
  • Projekt: HIV protease

2009

Anders U. Christensen
  • Grad: M.Sc.
  • Efterfølgende ansættelse: Aarhus Universitetshospital, Gymnasielærer
  • Projekt: Østrogenreceptor og Chymosin
Mia D. Christensen
  • Grad: M.Sc.
  • Efterfølgende ansættelse: Gymnasielærer
  • Projekt: SEAM
Mette Laursen
  • Grad: M.Sc.
  • Efterfølgende ansættelse: Ph.D. studerende ved PUMPKIN Centret på Aarhus Universitet
  • Projekt: SERCA og glukosidase inhibitorer

2008

Leyla Celik
  • Grad: Ph.D.
  • Efterfølgende ansættelse: Postdoc på Yale Universitet
  • Projekt: Østrogen receptor og monoamin transportere
Jesper Møjbæk
  • Grad: B.Sc.
  • Efterfølgende ansættelse: CLC bio
  • Projekt: MVD/Glide sammenligning
Søren R. Villadsen
  • Grad: B.Sc.
  • Projekt: Paroxetin
Lars V. Jespersen
  • Grad: B.Sc.
  • Projekt: Transthyretin

2007

Simon T. Nielsen
  • Grad: M.Sc.
  • Efterfølgende ansættelse: Gymnasielærer
  • Projekt: Cyklodextriner og scaffolds
Dennis Christensen
  • Grad: B.Sc.
  • Projekt: Antimikrobielle Peptider

2006

Julie D. D. Lund
  • Grad: M.Sc.
  • Efterfølgende ansættelse: Gymnasielærer, specialist på Arla
  • Projekt: Østrogen Receptor og EF-Tu
Søren S. Hansen
  • Grad: M.Sc.
  • Efterfølgende ansættelse: Ph.D. studerende på Farma på Københavns Universitet, Postdoc på Panum Instituttet på Københavns Universitet
  • Projekt: Chitosan