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Discovery Computational Chemistry

Model the interaction of a drug candidate with protein targets such as kinases, GPCRs, receptors, ion channels or enzymes.
Database Management Software

Facilitate the collection, tracking and processing of biological facts, statistics and observations.
Virtual Screening

Use software algorithms to virtually screen millions of potential compounds and peptides for binding.
Compound Docking

Identify potential compound hits based on the 3D structure of a target protein.
Systems Network Analysis

Analyze and visualize molecular pathways including gene regulatory, protein-protein and drug-target networks.
Pharmacophore Modeling

Use computer models to identify hits based on structural similarity to known active compounds.
Systems Pharmacology

Understand how drugs interact with different molecular and cellular systems within biological models.
Activity Prediction

Identify possible chemical hits based on the known three-dimensional structure of a protein.
Molecular Dynamics Software

Run simulations that determine time-dependent behaviors of molecular systems.
Discovery In Silico Drug Dynamics

Develop In Silico model of a drug candidate with a biological system with applications such as Pro-drug Predictions, ADME-PK Due Diligence, Brain-Barrier Permeability Simulation, Drug Absorption Simulation, In Silico ADME-PK Consultation, In Silico ADME-PK Predictions, In Silico Drug-Drug Interactions, In Silico Lead Optimization, In Silico Metabolite Predictions.