Biofilms play a key role in environmental biotechnology and related applications. Biofilm production can be enhanced by inhibiting the function of proteins that negatively regulate their formation. Virtual screening is to use the molecular docking software on the computer to simulate the interaction between the target target and the candidate drug before the biological activity screening, and calculate the affinity between the two to reduce the number of actual screening compounds. CD BioSciences use computer-aided methods to provide biofilm virtual screening service to help customers complete biofilm related research.

Figure 1. Virtual Screening. (Ying, Fu, et al.2018)

Our Services

CD BioSciences provides one-stop biofilm virtual screening service. We offer a variety of methods and software to choose from to meet your research needs.

Specific Energy Decomposition Analysis Approaches We Offer

• CD BioSciences employs an in silico approach to identify competitive inhibitors of multiple biomembrane antagonist proteins, using ligand- and structure-based virtual screening to shortlist inhibitors that are structurally similar to each protein's natural ligand.
• Inhibitors obtained from molecular docking using Autodock Vina were further docked using SwissDock and DOCK 6.9 to obtain consistent hits for each protein based on different scoring functions.
• We will further analyze the protein-ligand complex to study the screened inhibitors and their respective protein binding sites.
• Molecular dynamics simulations of protein-ligand complexes using GROMACS/Amber.
• RMSD, radius of gyration values, hydrogen bonds, and MM-PBSA are calculated to study protein-inhibitor interactions.

Provided by Clients

Please inform us of your specific biofilm virtual screening service system details, and we can provide customized solutions for different projects.

Service Process

Our Features

Deliverables

Why Choose Us?

CD BioSciences is committed to providing customers with comprehensive biofilm virtual screening services to help customers study biofilms more efficiently. Our excellent technology platform can realize a variety of biofilm technology services, and the praise from customers all over the world is the proof of our high-quality services. Please feel free to contact us for more detailed information, our scientists will tailor the most reasonable plan for your project.

Reference

1. Ying, Fu, Yi-Na, et al. Combination of Virtual Screening Protocol by in Silico toward the Discovery of Novel 4-Hydroxyphenylpyruvate Dioxygenase Inhibitors. Frontiers in chemistry, 2018.

• Biofilm Computational Construction Service
• Biofilm Molecular Dynamics Simulation Service
• Stability Test of Biofilm System
• RMSF Analysis of Biofilm System
• Gyration Radius Analysis of Biofilm System
• Binding Mode Analysis of Biofilm System
• Secondary Structure Analysis of Biofilm System
• Energy Analysis of Biofilm System
• Hydrophobic Interaction Analysis of Biofilm System
• Free Energy Landscape Analysis of Biofilm System
• Biofilm Conformational Principal Component Analysis
• Biofilm Ramachandran Plots Analysis
• Cluster Analysis of Biofilm System
• SAS Analysis Service of Biofilm System
• Energy Decomposition Analysis of Biofilm System
• Electrostatic Interaction Analysis of Biofilm System
• Computational Modeling of Early-Stage Biofilm Formation
• Biofilm CGMD Service
• Biofilm DPD Service
• Biofilm DEM Service
• Biofilm SPH Service
• Biofilm XFEM Service
• Other Biofilm MD Serivce
• Biofilm Homology Modeling Serivce
• Gram-negative Bacterial Outer Membrane Construction Service
• Biofilm Formation Simulation Service
• Construction Services for Discrete Difference Models
• Modeling Services for Geometric Heterogeneity in Biofilms
• Computational Simulation Service for Biofilm Development
• Computational Modeling Service for Synthetic Biofilms
• Biofilm MD Results Analysis Services
• Biofilm Multiscale Computational Modeling Service
• Biofilm Modeling Service