ICQ consultant

The Quantum computer aided drug design and computational chemistry technology was developed using a new paradigm in molecular modeling – applying quantum and molecular physics instead of statistical scoring-function-like and QSAR-like methods. It demonstrates outstanding speed and accuracy of molecular simulations.

Software products Docking Software Docking software and other drug discovery and computational chemistry tools, on-line IC50 calculator. LogP Octanol-water partition coefficient, on-line calculator and software Solubility Prediction Solubility in H2O and DMSO, on-line calculator and software pKa Protonation states and titration curves, on-line calculator and software

Computational drug discovery services Library Screening Virtual screening of a library of compounds against a given protein Lead Selectivity Test Compound selectivity profiling. Identification of an additional activity of a given small molecule against thousands of proteins Targeted compound libraries Targeted compound libraries Focused compound libraries with high predicted activity against given proteins, confirmed in vitro

Molecular Simulation, , Molecular Modeling software and services, Post – QSAR technology, Computer-Aided Drug Design, pka calculation, Molecular Docking, 3d Structure Based Drug Design, in-silico protein inhibition assay , Virtual screening, agonist / antagonist research , drug discovery, Protein Ligand docking software, ic50, design drug, pka phosphorylation, LogP, drug protein selectivity research, pKd ligand binding prediction, Drug Discovery Contract Research, Rational Drug Design Software