Code

GitHub: 

​

https://github.com/chemosim-lab

​

Database:

​​

• M2OR (from M. Hladiš, et al. ICLR 2023) a database of odorant-olfactory receptors pairs.
   

• SweetenersDB v2.0 (from C. Bouysset et al. Food Chem. 2020) a database of sweeteners with known sweetness values.
   

• SweetenersDB v1.0 (from J.B. Chéron et al. Food Chem. 2016)

​

Software:

​

• ProLIF (Protein-Ligand Interaction Fingerprints), a tool designed to generate interaction fingerprints for protein-ligand and protein-protein interactions extracted from molecular dynamics trajectories and docking simulations. It also supports DNA-ligand, DNA-protein and DNA-DNA interactions. (Github)
   

• Predisweet, a webserver for sweet taste prediction (webserver)
   

• Attract FF2G for protein-protein binding affinity prediction (webserver)
   

• Latest Ptools source code (ptools_1.1.tar.gz released in 2015-03-15) including the following features:
  – Attract forcefields FF1 and FF2 for proteins and nucleic acids
  – Attract docking protocol and multidocking script for 3-body systems
  – Analysis scripts (RMSd, iRMSd, fnat, clustering, …)
  – Prediction of protein interface based on electrostatic desolvation scoring
   

•  Original Protein-Protein Docking software Ptools/Attract (source and binaries)