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In silico Protein Engineering

The fast and accurate prediction of optimized amino acid
sequences that can improve the functionalities of protein

Technology at Quantumzyme

QZyme WorkbenchTM

QZyme WorkbenchTM is a fully automated proprietary in silico protein engineering platform, evolved by integrating open-source computational chemistry and biology/bioinformatics tools in combination with customised algorithms and scripts.

QZyme WorkbenchTM is capable of tackling several important aspects of protein modelling and engineering including, but not limited to, structural refinement, ligand docking, conformational sampling, estimating substrate binding affinity, modelling catalytic reaction, identifying mutable hotspots, further hotspot optimization.

To mitigate these challenges Quantumzyme has developed an in silico protocol known as the QZyme WorkbenchTM that is capable of tackling several important aspects of protein modeling and engineering.

QZyme Pilot

Initial hypothesis framing from key intelligence and information assimilation based on data, leads from a novel suggestion to an effective proposition

QZyme Modeller

Developing high confidence 3D model in the absence of accurate structural information by applying algorithms best suited for each case

QZyme CatMec

In-depth comparison study of the catalytic mechanism of the enzyme to lay the foundation for a robust enzyme development strategy

QZyme Hotspot

Discovery of key functional residues engaged in substrate binding; transition-state stabilization; product release and estimating their mutability for enzyme engineering

QZyme Designer

Creation of a focused library of variants with optimised functional hotspots and in depth study of hundreds of variants designed to elucidate desired activity

Advanced techniques tailored for protein engineering

Structural refinement and modeling
Ligand docking
Conformational sampling
Estimating substrate affinity-1
Modelling catalytic mechanism-1
Identifying mutable hotspots
Hotspot optimization

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