Unifying thermochemistry concepts in computational heterogeneous catalysis
https://pubs.rsc.org/en/Content/ArticleLanding/2025/CS/D4CS00768A

ProGenome Lifescience launches 7th Batch of 5-Day Online Course "MOLECULAR DOCKING & 3D MODELLING" starting 6th February 2025!!

🕕 Time : 6 PM - 7 PM (IST)
💰 Fees : ₹1200
📍 Mode : 100% Online
🎓 Certification : Get certificate and notes upon course completion!

Registration Link: https://forms.gle/fAgzSZjVT6q6t98E6

💡 What You’ll Learn:
Basics of Molecular Docking
Protein-Ligand Interaction
Scoring Functions
Molecular Docking Tools and Software
Setting up a Docking Experiment
Software Installation
Preparing the Protein and Ligand
Running Docking Simulation
Analyzing Docking results
Enhancing Docking accuracy
Post Docking Analysis
Protein Modelling
Homology Modelling & Validation
Case Studies and Q&A

Register Now!!

🌟 Last Call to Join the Virtual Winter School on Computational Chemistry! It is free!🌟

The 11th VWSCC is almost here, kicking off on January 27th! 🎉

⏳ Don’t miss out—subscriptions close this Friday, January 24th, at 23:59! ⏳

Join this free, online event to:
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Revolution of Artificial Intelligence in Computational Chemistry Breakthroughs

*? Cambridge Cheminformatics Meeting - 4 Sep, Hybrid, Free & Open to All*

Dear All,

You are cordially invited to our next Cambridge Cheminformatics Meeting, which has been a staple for over 10 years, usually held four times per year.

Since COVID, these meetings have been conducted in a hybrid format, making them accessible worldwide.

? Event Details:
- Date: 4 September 2024
- Time: 4-5:30 pm UK time
- Location: Cambridge, UK and Virtual (Hybrid

? Join via Zoom: Direct Zoom Registration https://cam-ac-uk.zoom.us/meeting/register/tZMpdeGvrDoqEtO6rNc-gbcU4qFAZU10mZw3
? More Info: Event Series Details https://www.c-inf.net/

Programme:
- Drug Discovery Through a Quantum Lens: Augmenting Traditional Approaches With Physics and AI - David Wright, Kuano
- Automated Patent Chemistry Extraction and Patent SAR Curation in PubChem: A Look at Two Gift Horses - Chris Southan, Honorary Professor, University of Edinburgh
- Exploring Ultra-Large Virtual Libraries with 3D Descriptors: Alternatives for Ligand and Structure-Based Drug Design - Javier Vazquez, Pharmacelera

? Followed by a visit to the Panton Arms!

If you are interested in joining virtually, please use the Zoom registration link above. If you are in Cambridge (UK) on the day, you are welcome to join us at the Cambridge Crystallographic Data Centre (CCDC) on Union Road (no registration necessary), just arrive a bit early to sign in and enjoy a cup of coffee. Join us afterward for the social event!

If you'd like to be added to our Cheminformatics Mailing List, please email Andreas at andreas [] drugdiscovery.net. The list is low-volume (~one email every two months and focused on cheminformatics-related events, vacancies, and resources.

Hope to see many of you in September, either virtually or in person!

Please share with anyone who might be interested!

Best wishes,
Andreas

Zoom

Welcome! You are invited to join a meeting: Cambridge Cheminformatics Meeting, 4 September 2024. After registering, you will receive…

For in-person attendance please come to the CCDC on Union Road, Cambridge - no registration necessary. Please arrive ahead of time to sign in - we also have some food and drink available, and you are welcome to join from ~3.30pm onwards For virtual attendance…

Webinar
Multiscale free energy simulations of biochemical reactions using QMHub
https://www.q-chem.com/webinars/72/