Hannah Bruce

For #compchem tweeps, an end of an era - ccl.net will shut down

My first post on the list ~ 27 years ago started me down the path of QM and then comp chem

09.07.2025 02:16 — 👍 11    🔁 2    💬 1    📌 0

people more pro-AI than me? gullible nerds. people more anti-AI than me? fear-addled clowns. and me? perfect, as per usual

20.06.2025 15:53 — 👍 54    🔁 9    💬 1    📌 0

The 11th Annual CCPBioSim 2025 Conference: Frontiers in Biomolecular Simulations

The 11th Annual CCPBioSim 2025 Conference will take place at the University of Southampton on 14th-16th July

Final registration and poster abstract deadline: 23rd June 2025

Preliminary programme is now available.

See here for more details: www.ccpbiosim.ac.uk/events/upcom...

20.06.2025 10:04 — 👍 1    🔁 1    💬 0    📌 0

New approaches to the treatment of Parkinson’s | News | Cambridge MedChem Consulting

Just wanted to highlight New approaches to the treatment of Parkinsons' conference. Awesome lineup of speakers. #BMCSPARKINSONS2025 www.cambridgemedchemconsulting.com/news/index_f...

09.06.2025 11:24 — 👍 3    🔁 1    💬 1    📌 0

Chemical Information and Computer Applications Group (CICAG) - Call for Committee - April 2025 Please take the time to complete our survey. Your feedback is important.

RSC CICAG (Chemical Information & Computer Applications Group) is looking for three new committee members!

Most of the job is organizing chemoinformatics & comp chem events for the chemistry community. Please apply at the link! You must be an RSC member to apply.

www.smartsurvey.co.uk/s/5DC73W/

17.04.2025 15:54 — 👍 1    🔁 2    💬 0    📌 0

Leveraging Alchemical Free Energy Calculations with Accurate Protein Structure Prediction Small-molecule lead optimisation in early-stage drug discovery is broadly supported by computational chemistry approaches throughout industry. Over the last decade, Free Energy Perturbation (FEP) has ...

I’m (very) biased, but nice work from Jenke Scheen and Charm Therapeutics running FEP using cofolded protein-ligand structures on public and private datasets!

chemrxiv.org/engage/chemr...

17.03.2025 21:32 — 👍 9    🔁 2    💬 0    📌 0

Hi network, I am looking for senior positions in computational and medicinal chemistry. If you need someone with a strong background in med chem who has contributed to multiple leads and clinical candidates and has hired and managed teams and built computational platforms, please reach out. Thanks!

27.02.2025 01:33 — 👍 29    🔁 33    💬 1    📌 3

This reminds me of Erica’s wedding!

23.11.2024 05:31 — 👍 1    🔁 0    💬 0    📌 0

1992-2023: Christmas belongs in DECEMBER

22nd of November 2024: time to dress my baby as a reindeer

22.11.2024 19:35 — 👍 2    🔁 0    💬 0    📌 0

I am delighted to be speaking at SAE Media Group upcoming AI in Drug Discovery Conference 10-11 March 2025 in London! 💊💻

Will be my first conference back after mat leave 😱

Details: www.ai-indrugdiscovery.com

22.11.2024 16:00 — 👍 15    🔁 1    💬 0    📌 0

Have been working on something different for the last few months! Not sure I remember any chemistry…

18.11.2024 16:10 — 👍 15    🔁 0    💬 1    📌 0