We are recruiting!! Come and join us! We are looking for someone for a 5-year temporary Lecturer (pathway 1; research and teaching) position. We are particularly keen to increase our diversity, so please share! bristol.ac.uk/jobs/find/deta…

Using simulation to unravel the role of loop dynamics in catalysis and evolution of protein tyrosine phosphatases, just out in J. Am. Chem. Soc. collaboration with Alvan Hengge at USU and [email protected] pubs.acs.org/doi/abs/10.102…

New work from Dek Woolfson’s lab: Structural resolution of switchable states of a de novo peptide assembly WoolfsonLab Bristol Chemistry Bristol BioDesign Institute Bristol Biochemistry @Will_M_Dawson Eric J. M. Lang @Guto_Rhys Adrian Mulholland go.nature.com/3t5eG2H

The potential of de novo enzymes: Broad activity of a designed enzyme. Work of Jonnie Jenkins, Claire Noble Katie Grayson with Ross Anderson. Simulations identify substrate binding sites. Substrate promiscuity of a de novo designed peroxidase sciencedirect.com/science/articl…

Mechanism of covalent binding of ibrutinib to Bruton's tyrosine kinase revealed by QM/MM calculations - work of Angus Voice & Rebecca Twidale Bristol Chemistry Gary Tresadern Herman van Vlijmen @JanssenEMEA in Chemical Science #BTK #TCI #EGFR #QMMM #CovalentInhibitor pubs.rsc.org/en/content/art…

Great talks! Great science! Great price! One week until registration closes for the 4th Multiscale Conference, ccpbiosim.ac.uk/multiscale2021. #CompChem #CompBio #MultiscaleModelling ccp5 CECAM Frauke Graeter Syma Khalid Celine Merlet @i_paci @LarsPastewka Andela Saric

Lots of RSE job openings at UCL (entry and senior level). Deadline to apply is the 25th April. They're a great group :-) blogs.ucl.ac.uk/research-softw…

#compchem Lecturer / Assoc Prof position available at Bristol Chemistry - great place to work, in a great place to live!

Full paper here: pubs.rsc.org/en/content/art…

Our next industry seminar: Charting therapeutically relevant protein conformational space with adaptive MD with Silvia Lovera from UCB BioPharma 🗓️2 June 2021 (registration deadline 31 May) 🕒3pm UK ➡️ccpbiosim.ac.uk/adaptive2021 #CompChem #CompBio

“We are going to have 15,000 checks per week of goods coming from Great Britain to Northern Ireland” #Marr fails to remind viewers Boris Johnson sold his Brexit deal to the public & Parliament on the PROMISE there would be NO CHECKS on goods! RT if you think that’s important

Former Bristol Biochemistry Bristol Comp Biochem PhD student @viiviheidi will briefly be back in Bristol tomorrow. She'll give a talk in C42 at 4pm on "Modelling the conformational dynamics of the molecular chaperone Hsp90" Please come along!

After three and a half years, it is finally done! 🎉

We’re running a new binding challenge, involving predicting which compounds (out of about 45K) bind to a particular protein target: github.com/samplchallenge… Stage 2 will involve predicting IC50 values, and we will revisit the same target again later. RTs appreciated!

Registration is open for our Industry Talk "Championing the adoption of predictive sciences into the pharmaceutical discovery, process, and development space" by Ed Sherer from Merck. 🗓️7 July 2022, 2pm UK time ➡️ccpbiosim.ac.uk/merck2022 #CompBio #CompChem #IndustryTalk

Save the Date! The 5th Manchester Multiscale Conference will take place 3-5 April 2023. We are still finalising the invited speakers list and other details ... watch this space for announcements. ccp5 #ManchesterMultiscale

Interested in a #compchem #PhDposition on #enzymes, together with single molecule experimentalists? Check out the project “Single molecule dynamics of enzyme catalysis for thermoadaptation and design” with Adrian Mulholland

There is still time to register! Looking forward to virtually seeing you on Friday 👩‍💻🧑‍💻

Five days left to apply for this 🔽🔽

Proud to have been involved in this with Ewa Chudyk Spencer Lab [email protected] and Adrian Mulholland! We used QM/MM simulations to help understand why some class A beta-lactamases can hydrolyse carbapenems whilst others can’t. SWBio DTP School of Cellular & Molecular Medicine pubs.acs.org/doi/10.1021/ac…