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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 a specific disease, a built-in target related to the disease can be selected, and molecular docking is performed for some or all of the disease-related targets.

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 establish a custom target set according to their own targets of interest, and perform systematic molecular docking.

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.

Small Molecule Retrosynthesis

Compound synthesis route design based on deep learning algorithm, given target compound to generate synthesis route.

NMR Spectrum Prediction

HNMR prediction based on experimental data

Boiling point prediction

Prediction of boiling point at different pressures (0.5-760mmHg)

Protein-RNA

Protein-RNA Complex Structure Prediction Tool

Protein-DNA

Protein-DNA Complex Structure Prediction Tool

COVID-19

Small molecule, small peptide and antibody docking of nCoV target proteins

Personalized Service

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

2022

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