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Molecular Docking Services

We offer precision molecular docking services to help identify new drug candidates and optimize existing drugs. Our computational methods accurately predict how small molecules interact with proteins.

How We Help

Our molecular docking services can be used for:

  • Screening compound libraries to discover potential new drugs
  • Predicting binding interactions between target proteins and ligands
  • Optimizing lead compounds by evaluating binding mechanics
  • Understanding binding mechanisms at the molecular level

Expertise in Molecular Modeling

Our team of PhD scientists have extensive experience applying computational methods to projects involving drug discovery, molecular modeling, and protein-ligand interactions. We use the latest docking software and algorithms.

Custom Projects of Any Size

Whether you need molecular docking for a small validation study or a large virtual library screening, we can handle projects of any scope or complexity. Submit your request using the form and well get back to you promptly.

FAQ

  • How does molecular docking work?
        Molecular docking relies on algorithms and software tools that simulate the binding interactions between a small molecule and a target biomolecule. It predicts the optimal position and orientation of the small molecule within the binding site of the target.
  • What are the applications of molecular docking?
        Molecular docking have a wide range of applications in drug discovery, virtual screening, lead optimization, and understanding protein-ligand interactions.
  • What is the molecular docking process?
        The typical docking process involves preparing macromolecule and ligand structures, generating multiple binding poses, scoring and ranking the poses based on binding affinity predictions.
  • Which docking software do you use?
        We primarily use AutoDock Vina and Autodock4 which are widely used and accurate docking tools.
  • What is your pricing model for molecular docking service?
        Our pricing is flexible depending on the scope and complexity of work. Please contact us for a customized quote. Academic discounts are usually available.
  • What can your reports include?
        Our docking reports typically contain binding mode visualization, predicted binding affinity scores, 2D and 3D ligand interaction diagrams and discussion of key interactions.
  • How long does a typical docking job take?
        A standard docking job takes 1-3 days depending on the complexity and size of the target protein and ligand library. Larger scale projects may vary.