Ion Channels Modeling Service

The ion channels across the cell membrane play a key role in a vast variety of processes, including muscle contraction, nervous signal transmission, and osmotic pressure. Creative Biolabs has focused on the development of protein engineering services for many years and has established excellent protein engineering platforms for drug development. We provide a variety of ion channels modeling services to meet the diverse needs of our customers.

Introduction to Ion Channels Modeling

Ion channels can open and close in response to different stimuli, such as a lowering of pH, ligand binding and cell depolarization. Ion channels may be formed by multiple domains that can be localized both in the membrane and in the cytoplasmic or periplasmic regions. The combination of highly sophisticated computational approaches with atomic-resolution structures provides a virtual route for interpreting experimental observations and relating a channel structure to its function. Among a large number of computational approaches proposed and employed for studies of ion channels, most fall within the following three categories: the approaches based on Poisson-Nernst-Planck (PNP) theory; Brownian dynamics (BD); and molecular dynamics (MD).

Poisson- Nernst-Planck (PNP)

The main idea of PNP is to employ a continuum description for all components of the system, i.e. the solvent, ions, and the ion channel. The water, membrane and the channel are represented as fixed, structureless dielectrics while the ions are described by specifying the local density throughout the system.

Brownian dynamics (BD)

The BD method allows for simulations of explicit ion permeations on the microsecond-to-millisecond time scale by treating solvent molecules implicitly. Typically, a moderate number of atoms of interest (usually the ions) are simulated explicitly, while the solvent is accounted via friction and stochastic random forces that act in addition to the electrostatic and steric forces arising from other ions, the protein, and the lipid bilayer.

Molecular dynamics (MD)

By explicitly describing all the atoms of the system of interest and the majority of interatomic interactions, the MD method has the potential to compete with the experiment in completeness and accuracy of the description of microscopic phenomena. In the case of an ion channel, one can, in principle, directly observe ion conductance and gating at the spatial resolution of a hydrogen atom and the temporal resolution of single femtoseconds.

Fig.1 A schematic illustration of the PNP, BD, and MD modeling methods.

Services

Advances in computational technologies and membrane protein structure determination methods are poised to make modeling and simulations of ion channels an integral part of future drug development. The MD method is considered the most computationally expensive but also the most accurate. The PNP and BD approaches are, in general, less computationally expensive but also provide less detail. At the same time, the MD method has the smallest temporal and spatial range, followed by BD methods, followed by PNP approaches. We can provide the above three ion channels modeling services to meet customers' specific requirements.

Creative Biolabs has been involved in the field of protein engineering for many years and we are committed to completing your project with high quality. We have accumulated a wealth of scientific experience from our completed projects and provide you with the best services to ensure your requirements are met. If you are interested in our services, please contact us for more details.

All listed services and products are For Research Use Only. Do Not use in any diagnostic or therapeutic applications.

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