• From the beginning/homologous model and optimization of protein three-dimensional structure

  • Construction and optimization of cross-membrane systems (biofilms, cross -membrane proteins, etc.)

Full Process

Target identification

A reasonable and accurate target structure and structural dynamic mechanism are the cornerstone of new drugs, especially for systems with high flexibility or highly complex structure. This type of protein is difficult to analyze the crystal structure through experiments. The crystal structures obtained are often partially missing, which has become the biggest pain point for the development of new drugs for the system. Divamics combined with physical models and multi-scale molecular dynamics simulation technology, which can achieve high-precision structural analysis and dynamic structure modeling of complex systems. The fields that are good at include but not limited to:

              • ​​​​Target-ligand complex constructing model, as well as the analysis of the constructive characteristics of the index and ligand molecules in the free state/binding state

  • Protein-protein binding interface (PPI) modeling and important residual analysis

  • Construction of the advantages of intrinsically  disordered protein (IDP)

Service advantages

  • Computational Chemistry Experts: Employing molecular dynamics simulations and computational chemistry platforms for rational drug design insights.

  • Medicinal Chemistry Specialists: Evaluate drug efficacy, pharmacokinetics, and other properties crucial for drug development.

  • Seasoned Project Management: PM with extensive early-stage project management experience, serving clients including 7 publicly listed companies, 2 US biotechs, and 1 Asia-Pacific biotech.

Service process

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