
Simon Lichtinger
@lichtingersimon
Computational biochemist (PhD), philosopher of science (MPhil), and amateur jazz musician (no qualification)
ID: 1409178189990174721
27-06-2021 15:54:06
9 Tweet
75 Followers
76 Following



First paper from my PhD out today in JCIM & JCTC Journals , working with Phil Biggin πͺπΊ ! We show the extent to which hysteresis can affect umbrella sampling from steered MD, and how our simple MEMENTO method can help alleviate the problem pubs.acs.org/doi/10.1021/acβ¦

Very excited to share a pre-print of my latest work on the alternating access mechanism of peptide transporters with Phil Biggin πͺπΊ and Simon Newstead ! biorxiv.org/cgi/content/shβ¦ Will be a talk and poster about this at Biophysical Society annual meeting next week, so see you there!


Out just now in eLife - the journal: MD simulations combined with transport assays to study energy and substrate coupling in the mechanism of the mammalian peptide transporter PepT2. Work with Jo Parker, Simon Newstead and Phil Biggin πͺπΊ . doi.org/10.7554/eLife.β¦