At CD ComputaBio, we specialize in computer-aided drug design services, specifically modeling and simulation of nanomaterials in fluids. Our team of experts combines cutting-edge computational tools with deep domain knowledge to provide innovative solutions for the design and optimization of nanomaterials in fluidic environments. By utilizing advanced algorithms and simulation techniques, we help our clients unlock the potential of nanomaterials in a variety of applications ranging from drug delivery systems to environmental remediation.

Algorithms

• Molecular dynamics (MD)
• Monte Carlo methods
• Dissipative particle dynamics (DPD)
• Coarse-grained modeling
• Quantum mechanics/molecular mechanics (QM/MM)
• Continuum solvent models
• Docking and virtual screening techniques

Services Items

• Nanomaterial Characterization

We provide comprehensive characterization of nanomaterials, including size, shape, surface charge, and composition, enabling accurate modeling and simulation.

Using advanced analytical techniques, we elucidate the physicochemical properties of nanomaterials to ensure accurate rendering in a simulation environment.

• Molecular Dynamics Simulation

Our team employs molecular dynamics (MD) simulations to study the behavior of nanomaterials at the atomic and molecular level in a fluid environment.

Through MD simulations, we analyze the interactions between nanomaterials and surrounding molecules, providing valuable information to understand the stability, aggregation, and diffusion dynamics of nanomaterials.

• Computational Modeling of Nanofluidic Systems

We develop sophisticated computational models to simulate the behavior of nanomaterials in fluidic systems such as nanopores, microchannels, and biofilms.

By accurately rendering the complex interactions within these systems, we can predict transport phenomena, evaluate drug release profiles, and optimize performance for specific applications.

• Drug Delivery Optimization

Our services focus on drug delivery applications utilizing nanomaterials.

Through modeling and simulation, we can optimize the design of nanocarriers and predict their behavior in biological fluids to facilitate targeted drug delivery, controlled release, and improved efficacy.

• Environmental Nanotechnology

We assist in the design and evaluation of nanomaterial-based environmental remediation solutions.

Our simulations analyze the interactions between nanomaterials and contaminants, enabling the development of effective strategies to remove contaminants from soil, water and air.

Our Materials

We use a variety of nanomaterials, including but not limited to

• Nanoparticles
• Nanotubes
• Nanocomposites
• Liposomes
• Cubes
• Polymer Micelles
• Carbon-based nanomaterials
• Metal-organic frameworks

Why Choose Us?

At CD ComputaBio, we are passionate about advancing nanomaterial design through computer-aided drug design. Whether you need nano-based drug delivery systems or seek innovative solutions to environmental challenges, our modeling and simulation expertise will help you harness the transformative potential of nanomaterials in fluids. Contact us today to discuss your project and embark on a journey to optimize performance and improve outcomes.