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Tools
Protein-Protein docking

A tool for predicting the three-dimensional structure of protein-protein complexes, providing clues for the study of protein structure and function.

Antigen-Antibody docking

A 3D structure prediction tool for antigen-antibody complexes based on deep learning algorithms. Based on the predicted structures, energy contributions of the interfacial contact residues are calculated, which may provide clues for CDR optimization.

Protein-Small Molecule Docking

The three-dimensional structure prediction tool of protein-small molecule complexes based on deep learning algorithm can obtain the interaction information between compounds and specific residues according to the three-dimensional structure, and provide clues for the structure optimization of small molecules.

Virtual Screening

A virtual screening tool based on deep learning algorithms to rapidly screen chemically diverse small molecule libraries to obtain a list of potentially active molecules.

Reverse docking (potential target prediction)

Given a target molecule, a built-in library of target structures is screened to obtain potential targets that the molecule may bind to.

Disease-specific molecular docking

According to the signaling pathway, the built-in target related to the pathway can be selected, and molecular docking can be carried out for some or all of the targets related to the pathway.

Molecular docking based on signaling pathway

According to the signaling pathway, the built-in target related to the pathway can be selected, and molecular docking can be carried out for some or all of the targets related to the pathway.

Molecular Docking for Custom defined Targets Set

Users can create custom target sets for molecular docking against some or all of the custom target sets.

PROTAC ternary structure prediction and linker design

Predict the three-dimensional structure of the target protein (POI), E3 ligase, and PROTAC ternary complex, and evaluate the rationality of linker fragments of different lengths to form PROTAC molecules.

Service

In silico drug design service

  • PROTAC Ternary structure prediction and linker design
  • Protein structure modeling and interactions prediction
  • Virtual screening
  • Pharmocophore model and deep learning based QSAR model
  • Molecular dynamics simulation and free energy calculation
  • Cheminformatics analysis include clustering , similarity search

Discovery Biology

  • MTT、CCK8 assay
  • wound healing assay, cell migration assay, matrigel invasion assay, colony formation assay
  • stable cell construction
  • fluorescence-activated cell sorting (FACS) assay
  • real-time PCR, western blot
  • protein stability measurement, Kd measurement

We will usher in a new era of algorithmic platforms for drug discovery

2022

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