#
#
Section for Enterprise Digital Services geir.isaksen@uit.no +4777623178 99242782 Tromsø MODULBYGG D212

Geir Villy Isaksen


HPC Teamleader

Job description

Development of scientific software and advanced user support for high-performance computing. 


  • Florian van der Ent, Bjarte Aarmo Lund, Linn Svalberg, Miha Purg, Ghislean Chukwu, Mikael Widersten et al.:
    Structure and Mechanism of a Cold-Adapted Bacterial Lipase
    Biochemistry 2022 ARKIV / DOI
  • Xiaohu Guo, Annika Söderholm, Sandesh Kanchugal P, Geir Villy Isaksen, Omar Warsi, Ulrich Eckhard et al.:
    Structure and mechanism of a phage-encoded SAM lyase revises catalytic function of enzyme family
    eLIFE 2021 ARKIV / DOI
  • Jaka Socan, Geir Villy Isaksen, Bjørn Olav Brandsdal, Johan Lennart Gösta Åqvist :
    Towards Rational Computational Engineering of Psychrophilic Enzymes
    Scientific Reports 2019 ARKIV / DOI
  • Willem Jespers, Geir Villy Isaksen, Tor Arne Heim Andberg, Silvana Vasile, Amber van Veen, Johan Åqvist et al.:
    QresFEP: An Automated Protocol for Free Energy Calculations of Protein Mutations in Q
    Journal of Chemical Theory and Computation 2019 ARKIV / DOI
  • Jaka Socan, Masoud Kazemi, Geir Villy Isaksen, Bjørn Olav Brandsdal, Johan Åqvist :
    Catalytic Adaptation of Psychrophilic Elastase
    Biochemistry 2018 DOI
  • Davide Michetti, Bjørn Olav Brandsdal, Davide Bon, Geir Villy Isaksen, Matteo Tiberti, Elena Papaleo :
    A comparative study of cold-and warmadapted Endonucleases A using sequence analyses and molecular Dynamics simulations
    PLOS ONE 2017 ARKIV / DOI
  • Geir Villy Isaksen, Johan Åqvist, Bjørn Olav Brandsdal :
    Thermodynamics of the Purine Nucleoside Phosphorylase Reaction Revealed by Computer Simulations
    Biochemistry 2017 DOI
  • Johan Åqvist, Geir Villy Isaksen, Bjørn Olav Brandsdal :
    Computation of enzyme cold adaptation
    Nature Reviews Chemistry 2017 DOI
  • Johan Åqvist, Masoud Kazemi, Geir Villy Isaksen, Bjørn Olav Brandsdal :
    Entropy and Enzyme Catalysis
    Accounts of Chemical Research 2017 ARKIV / DOI
  • Geir Villy Isaksen, Kathrin Helen Hopmann, Johan Åqvist, Bjørn Olav Brandsdal :
    Computer Simulations Reveal Substrate Specificity of Glycosidic Bond Cleavage in Native and Mutant Human Purine Nucleoside Phosphorylase
    Biochemistry 17. March 2016 DOI
  • Geir Villy Isaksen, Johan Åqvist, Bjørn Olav Brandsdal :
    Enzyme surface rigidity tunes the temperature dependence of catalytic rates
    Proceedings of the National Academy of Sciences of the United States of America 12. July 2016 DOI
  • Geir Villy Isaksen, Tor Arne Heim Andberg, Johan Åqvist, Bjørn Olav Brandsdal :
    Qgui: A high-throughput interface for automated setup and analysis of free energy calculations and empirical valence bond simulations in biological systems
    Journal of Molecular Graphics and Modelling 2015 DOI
  • Geir Villy Isaksen, Johan Åqvist, Bjørn Olav Brandsdal :
    Protein surface softness is the origin of enzyme cold-adaptation of trypsin
    PLoS Computational Biology 2014 ARKIV / DOI
  • Rasmus Tørnes Karstad, Geir Villy Isaksen, Evelien Wynendaele, Yngve Guttormsen, Bart De Spiegeleer, Bjørn Olav Brandsdal et al.:
    Targeting the S1 and S3 Subsite of Trypsin with Unnatural Cationic Amino Acids Generates Antimicrobial Peptides with Potential for Oral Administration
    Journal of Medicinal Chemistry 2012 DOI
  • Gøril Eide Flaten, Gabor Kottra, Wenche Stensen, Geir Villy Isaksen, Rasmus Tørnes Karstad, John Sigurd Svendsen et al.:
    In Vitro Characterization of Human Peptide Transporter hPEPT1 Interactions and Passive Permeation Studies of Short Cationic Antimicrobial Peptides
    Journal of Medicinal Chemistry 2011 DOI
  • Rasmus Tørnes Karstad, Geir Isaksen, Bjørn Olav Brandsdal, John Sigurd Svendsen, Johan Svenson :
    Unnatural Amino Acid Side Chains as S1, S1 ', and S2 ' Probes Yield Cationic Antimicrobial Peptides with Stability toward Chymotryptic Degradation
    Journal of Medicinal Chemistry 2010 DOI
  • Bjarte Aarmo Lund, Geir Villy Isaksen, Ryan Scott Wilkins, Adele K Williamson :
    The Bacillus pumilus chorismate mutase
    2020
  • Geir Villy Isaksen :
    Entropy Calculations in the PchB-catalyzed chorismate mutase reaction.
    2019
  • Geir Villy Isaksen :
    Computational Understanding of Biocatalytic Evolution to Extreme Environments
    2019
  • Geir Villy Isaksen :
    Point charges.
    2019
  • Geir Villy Isaksen, Bjørn Olav Brandsdal :
    Tromsø VR lab (forskningsdagene 2019)
    Forskningsdagene 2019 2019
  • Geir Villy Isaksen :
    CUBE3 - Computational Understanding of Biocatalytic Evolution to Extreme Environments
  • Geir Villy Isaksen :
    VR-teknologi og molekylær kjemi
    23. September 2019
  • Geir Villy Isaksen :
    The entropy challenge in enzyme-catalyzed reactions – are QM methods approaching classical brute force calculations?
    2019
  • Geir Villy Isaksen, Johan Åqvist, Bjørn Olav Brandsdal :
    Computation of Enzyme Temperature Adaptation - Protein Surface Softness Regulates the Enthalpy-Entropy Balance.
    2018
  • Geir Villy Isaksen :
    SAM hydrolase (SVI-3) reaction mechanism
    2018
  • Geir Villy Isaksen :
    Empirical Valence Bond.
    2018
  • Geir Villy Isaksen :
    Datasimuleringer baner vei for enzymdesign
    Kjemi 2015
  • Geir Villy Isaksen :
    Protein dynamics regulates enzyme enthalpy-entropy balance
    2015
  • Vibeke Os, Geir Villy Isaksen :
    Energiberegninger forklarer biologisk evolusjon
    03. July 2015 FULLTEKST
  • Geir Villy Isaksen :
    Protein surface-softness is the origin of enzyme cold-adaptation.
    2013
  • Geir Villy Isaksen, Johan Isaksson, John Sigurd Svendsen, Bjørn Olav Brandsdal :
    Structural studies of small cationic antimicrobial peptides by NMR and computer simulations have facilitated a refined pharmacophore model able to predict activity versus Staphylococcus aureus
    2011
  • Geir Villy Isaksen, Bjørn Olav Brandsdal :
    Membrane interaction mechanism for small antimicrobial peptides
    2010
  • Geir Villy Isaksen, Rasmus Tørnes Karstad, Johan Mattias Isaksson, Johan Svenson, John Sigurd Svendsen, Bjørn Olav Brandsdal :
    Structure of short cationic antimicrobial peptides and their interactions with membranes as revealed by MD simulations
    2010
  • Geir Villy Isaksen :
    Membrane interaction mechanisms for small antimicrobial peptides.
    2010

  • The 50 latest publications is shown on this page. See all publications in Cristin here →


    Research interests

    • Software development and design og graphical user interfaces (Python, PyQt, Qt, Tkinter)
    • Molecular science and computational chemistry (Enzyme evolution and protein design)

    Teaching

    • Introduksjon til kjemi og kjemisk biologi  (KJE-1001)
    • Molecular Modeling (PhD and master)
    • Biomolecular Modeling (PhD and master)


    MODULBYGG D212

    Click for bigger map