Our latest manuscript entitled “Molecular insights into the behaviour of bile salts at interfaces: a key to their role in lipid digestion” features work that we have done in collaboration with the groups of Cécile Dreiss (Institute of Pharmaceutical Science, KCL), Richard Harvey (Institut für Pharmazie, Martin Luther Universität Halle-Wittenberg), …
Raquel Lopez-Rios De Castro, who has just completed her BSc in Physics at King’s College London, has been awarded one of the eleven summer bursaries that have been awarded for the Summer of 2019 by the EPSRC/BBSRC funded Physics of Life network 2 (details of call here). Raquel will be …
Leyang Ji, who has just finished the 2nd year of her BSc in Mathematics at King’s College London, has been awarded a King’s Undergraduate Research Fellowship (KURF) to work with our group over the summer of 2019. During her summer project she will be working with Rob Ziolek in order to …
During the PyData2019 conference, I took part in the Democracy Hackathon, hosted by Newspeak House (The London College of Political Technologists), which took the format of a Kaggle-style machine learning competition for predicting the turnout of UK general elections. SixFifty has been working hard to source and produce model-ready datasets for solving …
Our latest manuscript entitled “On the interaction of hyaluronic acid with synovial fluid lipid membranes” features work by two PhD students in the lab (Paul Smith & Rob Ziolek) and an undergraduate student who worked with us last summer (Elena Gazzarrini). In this manuscript, we used all-atom molecular dynamics simulations to …
The length and size of modern MD trajectories can present problems when it comes to storing, analysing and especially viewing your simulations. In regards to the latter, one common solution is to create a second copy of a trajectory with some frames skipped or with the solvent removed. This is …
We have recently published a manuscript entitled “On the hydration of DOPE in solution” in collaboration with Sylvia McLain’s group at the University of Oxford. In this manuscript, we utilise neutron diffraction and NMR experiments alongside Empirical Potential Structure Refinement (EPSR) and atomistic molecular dynamics simulations to gain a state-of-the-art …
At the end of 2018, Paul Smith & Mateusz Bieniek applied for and were awarded the Warren L. DeLano Memorial PyMOL Open-Source Fellowship. (Congratulations Paul & Mat!) They were the first ‘team’ to be awarded this fellowship, which is “awarded by Schrödinger to supplement the income of an outstanding member of …
We are organising a one-day workshop where we will discuss various aspects of “Membranes in Health and Disease” on 9 April 2019. The workshop will be held in Bush House on the Strand Campus of King’s College London, and it will feature invited talks by Jake Baum from Imperial College …
Survival Probability (SP) is the probability that a group of particles remain in a specified region for a certain amount of time [P. Liu et al, J. Phys. Chem. B., 2004]. One application of the Survival Probability is finding the probability that ions are going to remain at an interface for …