iiinova — where your digital self keeps evolving

Chi Kit Ng

@chikitng.bsky.social

👨‍💻PhD candidate in the Cole Group @colegroupncl.bsky.social 💊Structure-based & Computational Drug Discovery 📍Newcastle University, Newcastle upon Tyne, UK

Posts Replies Media

Reposted by Chi Kit Ng

Cole Group @colegroupncl.bsky.social · 13/11/2025

If you're at #ukqsar today, be sure to check out posters by @finlayclark.bsky.social, on work with @openforcefield.org, and @asmaferiel.bsky.social & @chikitng.bsky.social on computer-aided drug design methods! #compchem

013

Reposted by Chi Kit Ng

Cole Group @colegroupncl.bsky.social · 25/07/2025

As we approach the end of the first week of the 2025 #CCP5 Summer School in Newcastle, here are a few highlights! Students have had in-depth seminars and practical sessions on computational methods, and guest research seminars to illustrate their use in modern research.... #compchem

194

Reposted by Chi Kit Ng

Cole Group @colegroupncl.bsky.social · 21/07/2025

Ioan Magdau starts off the 2025 #CCP5 summer school. Welcome to Newcastle everyone! #compchem

Geographical locations of summer school attendees

052

Reposted by Chi Kit Ng

Cole Group @colegroupncl.bsky.social · 01/07/2025

Big update to @jhmchem.bsky.social's preprint on "Computing solvation free energies of small molecules with first principles accuracy" now available on arXiv: arxiv.org/abs/2405.181... #compchem 🧵

arxiv.org

Computing hydration free energies of small molecules with first principles accuracy

Free energies play a central role in characterising the behaviour of chemical systems and are among the most important quantities that can be calculated by molecular dynamics simulations. The free ene...

1106