The binding free energy refers to the interaction that exists between the ligand and the receptor. Nonbonding interactions {weak interactions, low energy} exist in most systems and are mainly composed of three terms: van der Waals interactions, electrostatic interactions, and hydrogen bonding interactions, all of which can be calculated using the force field method. The covalent interaction (strong interaction, high energy) only exists in very individual systems, and its essence is the breaking of old chemical bonds and the generation of new chemical bonds. In actual drug small molecule (ligand) and protein (receptor) complex systems, generally only non-bonded interactions exist. Using the experimental temperature T and the binding constant K, the binding free energy can be roughly estimated. CD BioSciences use computer-aided methods to provide energy analysis service of biofilm system to help customers complete biofilm related research.

Our Services

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

Specific Energy Analysis Approaches We Offer

The calculation methods of free energy provided by CD BioSciences can be mainly divided into three categories:

• Free Energy Perturbation (FEN) and Thermodynamic Integration (Thermodynamic Integration. TI) Methods
  This type of method is relatively strict in principle, and the calculation results are relatively accurate. However, it requires a long period of data collection, has strict restrictions on the calculation system, and can only be suitable for relatively simple situations.
• Calculation Method Based on Empirical Equation
  This type of method decomposes the binding free energy into different interaction energy terms, and uses a set of training sets and uses statistical methods to obtain empirical formulas for free energy calculations. This kind of method is simple in sampling and small in calculation, and is widely used in drug design.
• LIE Method and MM/PBSA Method
  The LIE method and the MM/PBSA method are the free energy prediction methods based on molecular dynamics sampling developed in recent years, mainly including the LIE method and the MM/PBSA method.

Provided by Clients

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

Service Process

Our Features

Deliverables

1. Related experimental results raw data
2. Energy analysis results
3. Experimental report
4. Data analysis
5. Image and result analysis
6. Summary of relevant calculation parameters

Why Choose Us?

CD BioSciences provides professional biofilm service to meet the needs of regular customers to determine hits on time and on budget. CD BioSciences relies on the world-class technical expertise, we provide customers with the best quality one-stop biofilm service, including the development of experimental procedures according to different experimental needs. Please feel free to contact us for more detailed information, our scientists will tailor the most reasonable plan for your project.

• 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
• 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
• Biofilm Virtual Screening Service
• 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