Q-MOL Portal by Q-MOL LLC

Q-MOL Portal offers access to unique features of molecular modeling and in silico drug discovery platform Q-MOL^TM by Q-MOL LLC.  The correct solution of protein flexibility during protein-ligand docking opened an opportunity to create a collection of unique tools and methodologies.  These methodologies are NOT available in any other molecular modeling programs or web-based computational biology services.

Q-MOL Portal allows users creating computational biology tasks in the following categories:

• Precise prediction of drug-albumin partitioning in human blood plasma
• Predicting allosteric binding sites on the surface of target proteins
• Designing high affinity peptide against predicted allosteric site
• Predicting binding site of a small molecule ligand on the surface of a protein target
• Predicting ligand specificity against a protein target
• Predicting kinase off-target activity of a ligand against current structural kinome

See examples:Imanitib, Imanitib analog PF-114, Resveratrol, Aspirin

See Understanding Pocketome Screening for details.

• Predicting phosphatase off-target activity of a ligand against current structural phosphatome
• High fidelity protein-ligand docking

A message from Q-MOL Creator

All possible efforts are made to accelerate release of a distribution version of the Q-MOL software.  Most of the features of Q-MOL molecular modelling software are available to try through this portal.

Please note that the portal is under active development.  Additional features and documentation will be added in near future.

Anton Cheltsov