I have a large collection of structural databases, these range from vendor catalogues, to copies of various tranches of Zinc to copies of all proteins
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A previous post described Getting Ligand ID for multiple PDB files, using the PDBe API (https://www.ebi.ac.uk/pdbe/pdbe-services). The result is a csv file containing the ligand
I’m sure everyone is aware the Apple Vision Pro is about to be released, out of curiosity anyone planning any scientific apps using the Vision
Pistachio is a reaction dataset and interface providing loading, querying, and analytics of chemical reactions. The reaction data has been obtained from an ELN export,
A couple of folks have asked about the availability of Psi4 on Apple Silicon From Wikipedia Psi is an ab initio computational chemistry package originally written by the research
It is that time of year when Royal Society of Chemistry membership subscriptions arrive. One interesting point is that whilst every RSC member can join
Due to building work at CCDC the date has changed, the meeting will now be 6 December 2023, 4-5.30pm UK time, Hybrid (at the CCDC/via
Any interesting meeting from RSC BMCS, Conformational Design has played a key role in the medicinal chemistry of small molecule clinical candidates over the last
20 September 2023, 4-5.30pm UK time, Hybrid (at the CCDC/via Zoom) Zoom registration here: https://zoom.us/meeting/register/tJIqf-qhqjktHtSPZ0jtztLwDWnbp3CxmqUn Programme: Benchmarking Structure-Based 3D Molecular Generative Models Benoit Baillif, University