Bristol Comp Biochem

Bristol Computational Biochemistry -
University of Bristol researchers in Computational Biochemistry (biomolecular simulation, comput. biomolecular design)

[Michael Beer @Michaelbeer777]

Proud to have been involved in this with Ewa Chudyk @Spencer_D60 @marcvanderkamp and @AdrianMulholla1! We used QM/MM simulations to help understand why some class A beta-lactamases can hydrolyse carbapenems whilst others can’t. @SWBio_DTP @CMMBristol https://t.co/kxjJCq5vUe

[Bristol Biochemistry @BristolBiochem]

Five days left to apply for this 🔽🔽

[MGMS @MgmsUpdates]

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

[[email protected] @marcvanderkamp]

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 @AdrianMulholla1

[CCPBioSim @ccpbiosim]

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.
@CCP5UK
#ManchesterMultiscale

[samplchallenges @samplchallenges]

We’re running a new binding challenge, involving predicting which compounds (out of about 45K) bind to a particular protein target: https://t.co/cHSb6MfKRc

Stage 2 will involve predicting IC50 values, and we will revisit the same target again later.

RTs appreciated!

[CCPBioSim @ccpbiosim]

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
➡️https://t.co/SKOgD6i7eq

#CompBio #CompChem #IndustryTalk

[Alex Binnie @alexjbinnie]

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

[[email protected] @marcvanderkamp]

Former @BristolBiochem @BcompB 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!

[Peter Stefanovic @PeterStefanovi2]

“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

[CCPBioSim @ccpbiosim]

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
➡️https://t.co/dzBW0XxEOX

#CompChem #CompBio

[Emily Lythell @EmilyLythell]

Full paper here: https://t.co/Ht8UquEzBq

[Bristol Comp Biochem @BcompB]

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

[Prof. Natalie Fey @NatalieFey_NLS]

Come and join us in the Centre for Computational Chemistry @BristolChem: https://t.co/vlfMlF6pW0

[Christopher Woods @chryswoods]

Lots of RSE job openings at UCL (entry and senior level). Deadline to apply is the 25th April. They're a great group :-) https://t.co/fjGleSrZ6W

[CCPBioSim @ccpbiosim]

Great talks! Great science! Great price!

One week until registration closes for the 4th Multiscale Conference, https://t.co/kuEmtlXYv1.

#CompChem #CompBio #MultiscaleModelling

@CCP5UK @cecamEvents @graeter_mbm @ProfSyK @CelineM35 @i_paci @LarsPastewka @SaricLab

[Adrian Mulholland @AdrianMulholla1]

Mechanism of covalent binding of ibrutinib to Bruton's tyrosine kinase revealed by QM/MM calculations - work of Angus Voice & @TwidaleRebecca @BristolChem @gtresadern @hermanvvlijmen @JanssenEMEA in Chemical Science #BTK #TCI #EGFR #QMMM #CovalentInhibitor https://t.co/gmvIoYzt9V

[Adrian Mulholland @AdrianMulholla1]

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 https://t.co/8itaJ4XTAJ

[Nature Communications @NatureComms]

New work from Dek Woolfson’s lab: Structural resolution of switchable states of a de novo peptide assembly WoolfsonLab @BristolChem @BrisBioDesign @BristolBiochem @Will_M_Dawson @Eric_jm_lang @Guto_Rhys @AdrianMulholla1

https://t.co/rfnuQmzFqS

[Caroline Lynn Kamerlin 🇺🇸🇬🇧🇸🇪🇮🇷 ☀️ 🇪🇺🦓 @kamerlinlab]

Using simulation to unravel the role of loop dynamics in catalysis and evolution of protein tyrosine phosphatases, just out in @J_A_C_S collaboration with Alvan Hengge at USU and @marcvanderkamp https://t.co/WRT8MuQywt

[Bristol Biochemistry @BristolBiochem]

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!

https://t.co/urZvdpWhXM