We will establish a specific S100A8/A9 small molecule ligand through combination of X-ray structure analysis and chemical synthesis (2, 3). The ligand will be linked to different labels suited for PET ...

The latest version of Discovery Studio modelling and simulation software has been released by Accelrys. Version 3.5 extends the portfolio of small-molecule ligand design and market-leading biological ...

EleKit allows to measure the similarity of electrostatic potentials between a (docked) small molecule and a known ligand protein for the same protein receptor. EleKit is intended to facilitate the ...

A novel geometric deep learning framework designs ligand-specific protein binders, enhancing therapeutic potential in cell ...

This repository is an implementation of RNA-Small Molecule Ligand Binding Site Prediction by deep learning approach.