New Paper: “On the interaction of hyaluronic acid with synovial fluid lipid membranes”

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 …

New paper: “On the hydration of DOPE in solution”

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 …

Paul and Mat awarded Warren L. DeLano Memorial PyMOL Open-Source Fellowship

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 …