Conformational Design in Drug Discovery 2024 Conference

20 February 202420 February 2024 chris

Still time to register, great lineup of speakers. https://www.rscbmcs.org/events/conformationaldesign24/

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@macinchem.bsky.social 5 days

Next generation artificial intelligence (AI): explainable AI

Apply for funding for projects focused on speculative and high-risk fundamental research with the potential to deliver high reward and a...

https://macinchem.org/2026/08/11/next-generation-artificial-intelligence-ai-explainable-ai/
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@macinchem.bsky.social 1 week

OpenADMET PXR challenge PyMOL session file

The ability to predict ADMET (Absorption, Distribution, Metabolism, Excretion and Toxicity) properties is critical to accelerating new medicine discovery. In an effort to...
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@macinchem.bsky.social 2 weeks

Quick Look Doctor

In the review of Burette a Quick Look extension for chemical filetypes I wrote:- There are issues with this system, the same file type e.g. .sdf can be opened...
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@macinchem.bsky.social 2 weeks

Raymol, Molecular visualisation for Mac, Ipad, iPhone

One of the advantages of Apple Silicon is we are starting to see applications that take advantage of the new hardware. Raymol is a free Metal-based...
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@macinchem.bsky.social 3 weeks

ProLIF updated

ProLIF (Protein-Ligand Interaction Fingerprints) is a tool designed to generate interaction fingerprints for complexes made of ligands, protein, DNA or RNA molecules extracted from molecular dynamics trajectories, docking...

https://macinchem.org/2026/07/29/prolif-updated/

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