IRENE >> Partners >>MLT

Molecular Technologies

Development of methodology and software for modelling enzyme-substrate interactions, modelling structure and specificity of mutant enzymes, in silico screening of libraries of mutant enzymes. Member of the PSC and DIPC
MolTech is a small innovative company developing genuine molecular modeling methods and software for pharmaceutical and biotechnology applications. MolTech possesses Lead® software for extra-precision protein-ligand docking and free energy of binding estimation, which was successfully benchmarked in all publicly available test cases, including ability to capture the structure of biomolecular complexes (2-3 times more precise than closest competitors), potency of potential drug candidate (3-10 times more precise), and finding drug candidates in mixtures with inactive compounds (2-4 times more precise). Current research activity of MolTech is concentrated on extending protein-ligand docking capabilities to assess substrate specificity of enzymes and model changes in specificity caused by introducing mutations into enzyme structure.
Lead® software was successfully applied in the discovery of hit compounds targeting HSP70 chaperone and rendering neuroprotective effect (research project was supported by Russian Federal agency for Science and Innovations). Development and commercialization of Lead® software is supported by Russian Foundation for Assistance to Small Innovative Enterprises.
Dr. Ghermes Chilov has 9 years of experience in enzymology, applied biocatalysis and molecular modeling (molecular mechanics, protein-ligand docking, quantum chemistry and hybrid QM\MM methods).
Dr. Oleg Stroganov has 7 years of experience in molecular modeling (molecular mechanics, protein-ligand docking, quantum chemistry) and software development.
Mr. Fedor Novikov has 6 years of experience in molecular modeling (molecular mechanics, protein-ligand docking, protein structure modeling, quantum chemistry and hybrid QM\MM methods) and software development.
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IRENE is a project funded by the European Commission under the Seventh Framework Programme
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