Ollie Melling

Computational chemist @ Essex Group @ University of Southampton

@chem_essexgroup @UoSChemistry

[Essex Group @chem_essexgroup]

Successful Tuesday at #ACSFall2023! #compchem

[Essex Group @chem_essexgroup]

Made it to #ACSFall2023! Talks from @annacavalleri2 and @Willpoole123 on Tuesday/Thursday. Posters from @olliemelling_, Jack and Charlie on Tuesday eve!

[Theoretical Biophysics @TheoBiophysics]

Don't miss our brand new episode of the Theoretical Biophysics Podcast, delivered to you by Clark @pbrun03 !

Grand Canonical Sampling in Proteins: why moving to non-equilibrium offers a new perspective to an old problem, lead by Oliver @olliemelling_

https://t.co/PuyayYkZVX

[Essex Group @chem_essexgroup]

Talk one complete! Next is Dimitris
#ccpbiosim2023

[Essex Group @chem_essexgroup]

If you’re heading to @ccpbiosim in Leeds this week, be sure to keep an eye out for a joint talk from @olliemelling_ and @Willpoole123 as well as a talk from Dimitris! Posters from Jack Sawdon and Will at boards 10 and 20!

[Essex Group @chem_essexgroup]

Final day of #alchemy2023 rounding off with a photo of some past and present group members ☀️

[Essex Group @chem_essexgroup]

Day 1 at #alchemy2023 complete. Thanks to all the speakers for the thought-provoking talks, and to all attendees for the interest in our posters! Any further questions feel free to tweet us! @olliemelling_ @Willpoole123 @annacavalleri2

[Essex Group @chem_essexgroup]

Ready and looking forward to day 1 of #alchemy2023 in Boston! Be sure to check out our posters from @annacavalleri2, @Willpoole123 and @olliemelling_.

[Essex Group @chem_essexgroup]

We have an exciting opportunity for a new PhD student to join the group, working with mixed solvent MD methods and GCNCMC, in collaboration with @exscientiaAI. If this interests you, please see the advertisement here:
https://t.co/lUTnRBw91T #compchem #PhDposition

[Essex Group @chem_essexgroup]

Cracking day at #MDinPharma today! Great to hear a talk from @msuruzhon about his Exscientia work, and @Willpoole123 getting a shout out from Astex. Happy Friday, and Happy Easter from the Essex group 🐣🎉 #compchem #drugdiscovery #sotoncompchem

[Ollie Melling @olliemelling_]

New paper out looking at boosting acceptance rates in enhanced sampling of bound waters in protein-ligand systems - plus the effect this water sampling can have on protein/ligand conformation

Huge thanks to @marley_samways and of course @chem_essexgroup!

https://t.co/p0ZaUFETL3

[JCTC Papers @jctc_papers]

[ASAP] Enhanced Grand Canonical Sampling of Occluded Water Sites Using Nonequilibrium Candidate Monte Carlo https://t.co/VDMmltuc9H

[Essex Group @chem_essexgroup]

We have an exciting new PhD position available in the Essex group, investigating protein and ligand sampling using fully adaptive simulated tempering.
All information about the project and how to apply can be found here:
https://t.co/WVt2Wyg4Yv

[Essex Group @chem_essexgroup]

Really productive pub lunch with the group. Incredible what can be accomplished when your supervisor isn’t there! Welcome to the group @Camlbrown1, Izzy, and Anthony!