Computational Understanding of Biocatalytic Evolution to Extreme Environments
Towards Rational Computational Engineering of Psychrophilic Enzymes Cold-adapted enzymes from psychrophilic species achieve their high catalytic efficiency at low temperature by a different partitioning of the activation free energy into its enthalpic and entropic components, compared to orthologous mesophilic enzymes. … Continued
Ryan Wilkins has recently joined the CUBE3 project as a doctoral fellow. Ryan comes from Canada, where he recently finished his M.Sc. in Biophysics at the University of Guelph. His Master’s thesis focused on the development of a molecular simulation … Continued
Forskningsdagene.no has interviewed Geir about the new VR lab in Tromsø. Read the article here.
Abstract Predicting the effect of single-point mutations on protein stability or protein-ligand binding is a major challenge in computational biology. Free energy calculations constitute the most rigorous approach to this problem, though the estimation of converged values for amino acid … Continued
Tromsø VR lab. During the last couple of weeks we have been working hard to get everything up and running, and we are now very close to finalising the VR lab for interactive molecular sciences. Tromsø VR lab (TVRL) will … Continued
Project meeting in Funäsdalen 2019 In January 27 – 30 we went to Funäsdalen, Sweden, for the yearly CUBE3 project meeting. This year we were 5 participants from Tromsø (UiT – The Arctic University of Noway) and 4 from Uppsala … Continued
This week Geir and Bjørn Olav have visited Dr. David Glowacki and his virtual reality (VR) lab at the University of Bristol. After experiencing first hand real time interactive molecular dynamics (iMD), chemical reactions, docking, pulling, stretching and even tying … Continued
In connection with Prof. Arieh Warshel (77) becoming doctor honoris causa at UiT the Arctict University of Tromsø, Bjørn Olav Brandsdal and Kenneth Ruud organised a mini-symposium with former PhD students of Arieh as invited speakers. The very interesting talks … Continued
As of this week Bjarte Aarmo Lund joined CUBE3 as a postdoctoral researcher. Bjarte finished his PhD in structural biology in 2017 on the topic of antibiotic resistance caused by serine β-lactamases. With a decade of experience Bjarte has worked … Continued
We recently attended the ISQBP President’s meeting, which is held every two years acting as a meeting point for the community working on molecular simulations of biomolecular systems. This years meeting was held in Barcelona, Spain ?? and the conference program was … Continued