April 2018: Annie Westerlund’s second paper is just online! Read about Calmodulin’s promiscuous binding mechanism to ion channels and how we extracted information from MD simulations using pretty sophisticated data analysis!
March 2018: We are excited to welcome our new postdoc, Dr. Lea Rems, from TU Delft. Lea is opening up a whole new research area in the group! In collaboration with the Testa lab, she will model molecular mechanisms of signaling in neurons.
March 2018: Our first paper in collaboration with the Chanda Lab is just out: Gating interaction maps reveal a noncanonical electromechanical coupling mode in the Shaker K+ !!! We have combined generalized interaction analysis of electrophysiology recordings and network analysis of MD simulations to propose coupling between the voltage-sensor domain and the pore through the transmembrane interface. Amazing agreement between the two!
March 2018: We are excited to welcome our first student doing a bachelor thesis, Christin Friberg. Christin will analyze GPCR activation trajectories, identify differences between receptor states and investigate how the states vary upon agonist/antagonist binding.
February 2018: Read our latest and Alma Andersson’s first paper: Exploring the viral channel KcvPBCV-1 function via Computation!
February 2018: We welcome our new Masters student, Panagiotis Apostolakis, joining us from the physics engineering program at KTH. Panos will work in collaboration with the Elinder group in Linköping on the binding of resin acid derivatives to the Shaker channel.
January 2018: We welcome our new Masters student, Xueqing Wang, joining us from the SciLifeLab masters program in molecular techniques. Xueqing will work in collaboration with the TCB lab and further our understanding of insecticide binding to ion channels.
December 2017: Productive end of year: Check out our new papers! We gave our opinion on bridging simulations and wet lab experiments, we reviewed the use of enhanced sampling in membrane transport research and we learned about the Ca2+-dependent dynamics of Calmodulin thanks to the development of a free energy estimation method based on Gaussian mixture model validation. Three more under review to hopefully come in early 2018!
December 2017: We welcome our new Masters student, Immanuel Sanka, joining us from Uppsala University. Sanka is interested in silicic acid transport in diatoms. An exciting new project in the lab!
August 2017: Arina Gromova defends her Master’s thesis on the binding of resin acid derivatives to the Shaker channel. Our predictions will be tested by mutagenesis and electrophysiology by Fredrik Elinder and his group. Good job!
July 2017: We have the pleasure of welcoming two new group members: Oliver Fleetwood is a new PhD student who will work on biomimetic machines transducing signals across membranes and Sarah McComas is joining for the summer to work on voltage gated sodium channels. Welcome!
June 2017: Check out our new paper on conformation-dependent anion binding to a cytoplasmic site as a mechanism for Na+/K+-ATPase ion selectivity in JBC!
March 2017: We are organizing a CECAM meeting in Lausanne, April 3-5 2017, entitled “Ion Transport from Physics to Physiology: the Missing Rungs in the Ladder”. The focus is on bringing together ion transport researchers with a primarily computational or experimental background to try and learn how to successfully collaborate. The program is exciting, check it out!
Feb 2017: Lucie was appointed to the Journal of general Physiology Editorial
Advisory Board, as part of the effort of JGP to broaden their scope towards computational physiology. We are aiming to define what are good simulation practices in the field of (electro)physiology.
Feb 2017: Marina Kasimova is joining the lab as our new postdoc. She is aiming at using cryo-EM densities to guide ion channel molecular dynamics simulations.
Dec 13th 2016: Our new paper “On the role of water density fluctuations in the inhibition of a proton channel” by Eleonora Gianti et al. was just accepted in PNAS.
Dec 6th 2016: We have an open PhD position.
Nov 1st 2016: Our new paper “Does Proton Conduction in the Voltage-Gated H+ Channel hHv1 Involve Grotthuss-Like Hopping via Acidic Residues?” by Siri C van Keulen et al. was just accepted in J. Phys. Chem. B
August 20th 2016: After starting in February 2016, the group welcomes its two newest members, Dr. Tyler Harpole who joins us as a postdoc from UIUC, USA and Annie Westerlund, who joins us as a PhD student from Göthenburg. Welcome to both of you !