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Welcome to O2H
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| 計算化学 |
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The computational chemistry team uses sophisticated softwares and techniques to assist Hit-to-lead discovery. O2h has in house computational design capability led by internationally qualified multi-skilled organic, medicinal and computational chemist. O2h have access to the Accelrys suite of design tools to assist hit to lead discovery. The services O2h offers in the computational chemistry area are: | | | | Molecular modelling | | | | Virtual screening | | | | • | Target identification | | • | In-silico drug likeness | | • | Screening commercial databases to identify focused lead/hit compounds | | • | Docking | | • | Prioritise hits for in-vitro studies |
| | | | Drug Designing | | | | • | Computational support for hit generation and lead optimisation | | • | Development of pharmacophore models for different target molecules vis-a-vis therapeutic areas | | • | Universal/focused or specific model |
| | | | Other Services | | | | • | Designing target focused libraries | | • | Target modeling | | • | Molecular dynamic simulations | | • | Developing highly predictive 3D-QSAR models based on target and therapeutic areas |
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