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Computational simulation combined with biological experiments, providing you with leading one-stop biopharmaceutical research service solutions.
Primary Biotech integrates cutting-edge computational simulation technology with in-depth biological experiments, offering comprehensive one-stop biopharmaceutical research services, covering basic research, translational medicine, preclinical research, protein design, and more. We aim to efficiently promote and innovate your research projects.
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Top-notch expert team providing you with leading bio-computation and experimental solutions
Primary Biotech is composed of a top-tier team of experts with interdisciplinary backgrounds, including applied mathematics, computer technology, molecular and cellular biology, and medicinal chemistry. We have established a complete R&D loop in algorithm development, application, and experimental validation to ensure efficient and accurate solutions for you. The algorithm tools developed by our expert team have been widely recognized, winning the championship in the CASP15 competition for target-ligand structure prediction (2022) in the field of international computational biology and second place in the CASP16 drug target-ligand structure prediction competition (2024). With profound expertise and technological accumulation, Primary Biotech is dedicated to providing first-class IT/BT solutions to support your research innovation and industrial breakthrough.
Computational Tools
Small Molecule Docking Tools
PROTAC Design Tools
Macromolecule Docking Tools
Molecular Dynamics Simulation Tools
Common Small Tools
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.
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.
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 for Custom defined Targets Set
Users can create custom target sets for molecular docking against some or all of the custom target sets.
Our Services
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Online Algorithm Tools to Enhance Precision Research
We provide a variety of leading classical algorithm tools, including protein structure prediction, molecular docking, virtual screening, PROTAC computation, MD simulation, reverse target screening, and more. Through a user-friendly web-based platform, you can easily operate without complex setup, quickly obtain detailed result analyses, and strongly support your research work.
Expert Customized Services to Meet Your R&D Needs
Primary Biotech brings together a team of seasoned experts from fields such as computer science, chemistry, biology, and medicine, with strong interdisciplinary backgrounds. We deeply understand the R&D needs in the life sciences field and are committed to providing personalized one-on-one customized services for every client. Based on your specific project requirements, we design tailored experimental plans to ensure optimal solutions for your research work.
Diverse Experimental Services to Support In-Depth Research
We offer comprehensive experimental services, including cell growth curve determination, cell invasion and migration assays, plate clone assays, stable cell line construction, cell cycle and apoptosis analysis, Real-Time PCR, Western Blot (WB), protein stability determination, Kd value determination, and more. Our professional team will customize experimental plans for you to ensure accurate and reliable results, providing strong data support for your research.
Comprehensive Software/Hardware System Setup Services for Efficient R&D
Primary Biotech provides complete computational biology software and hardware solutions, covering hardware facility configuration, environment setup, system management, database development, software installation, and debugging. Our professional team will provide customized solutions based on your needs to ensure the stable and efficient operation of your research platform and facilitate the smooth progress of your projects.
Case Studies
The protein-protein docking reveals the mechanism of action between NLRP6 and p85α
Through a combination of calculations and experiments, the mechanism by which NLRP6 selectively degrades p85α via the autophagy pathway, activates the PI3K/AKT signaling pathway, and consequently promotes tumor development, has been revealed.
The protein-protein docking reveals the mechanism of interaction between Serpina3c and thrombin
Through the integration of experiments and calculations, this study delves into the underlying mechanisms of the interaction between Serpina3c and thrombin.
Protein-small molecule docking reveals the mechanism of Dioscorea nipponica on myocardial ischemia
Comprehensively employing a variety of technical approaches to delve deeply into the action mechanism of Dioscorea nipponica extract in combating myocardial ischemia. It substantiates that the steroidal saponin components in Dioscorea nipponica serve as the foundational substances behind its therapeutic effects on myocardial ischemia. Further, it illustrates that the treatment of myocardial ischemia with Dioscorea nipponica is a result of the combined actions of multiple components and targets.
Molecular dynamics simulation, virtual screening combined with experimental methods to discover small molecule inhibitors of STAT3
Success has been achieved in identifying potent small molecule inhibitors specific for the STAT3 SH2 domain through MD simulations and SB-VLS methods. The bioactivity and mechanism of action of these inhibitors have been verified experimentally.
Virtual screening and experiments discover small molecule inhibitors of NSDs
Through a method of combining structure-based virtual screening with experiments, powerful small molecule inhibitors against NSDs that exhibit significant biological activity in vivo and in vitro, providing a valuable tool for the study of the biological role of NSDs in cancer.
Exploring the molecular mechanism of wild-type and mutant protein systems based on MD simulation and MM/GBSA calculation
Through MD simulation and MM/GBSA binding free energy calculation, the interaction mechanism between SAPAP wild-type as well as mutant E-PBM and Shank3 N-PDZ was studied in depth.
Molecular dynamics simulation, virtual screening combined with experimental methods to discover small molecule inhibitors of STAT3
Success has been achieved in identifying potent small molecule inhibitors specific for the STAT3 SH2 domain through MD simulations and SB-VLS methods. The bioactivity and mechanism of action of these inhibitors have been verified experimentally.
Explore the mechanism of RNA binding to human Argonaute-2 using Molecular Dynamics simulation
Through the method of molecular dynamics simulation, the detailed process of hAgo2 binding to RNA was studied. This research explored various aspects including RMSD, RMSF, hydrogen bonding analysis, DCCM, PCA, and FEL to deeply analyze the molecular mechanism involved in the recognition of Ago2-RNA.
EARDB, a tool for the discovery and study of estrogen and androgen receptor modulators
The online system, EARDB, constructed in this article, provides functions for protein multi-conformation docking or ligand-based chemical structure similarity search. These functionalities are aimed at predicting whether a target compound could potentially act as an ERα, ERβ, or AR modulator.
nCoVDock2, used to predict the binding modes of COVID-19 targets and potential ligands
The nCoVDock2 target screening system developed in this article is designed to predict binding modes between therapeutic targets of the wild-type and mutant SARS-CoV-2 and their potential ligands (small molecules, peptides, antibodies). This server provides a user-friendly interface and visualization of binding modes for the predicted results, making it a useful tool for drug discovery in the context of COVID-19.