SILCS Description
Site-Identification by Ligand Competitive Saturation generates 3D maps (FragMaps), showing interaction patterns for chemical functional group with your target molecule. Site-Identification through Ligand Competitive Saturation generates 3D maps, (FragMaps), of interaction patterns for chemical functions groups with your target molecule. SILCS reveals the intricacies and provides tools to optimize ligand scaffolds through qualitative and quantitative binding pocket insights. This allows for faster and more effective drug design. SILCS employs multiple small molecule probes that have different functional groups and explicit solvent modeling to perform protein target mapping. Visualize positive interactions with the target macromolecule. Get insights to design better binding agents with the best functional groups.
SILCS Alternatives
Bruker Drug Discovery
The process of bringing a new drug to market, from the initial step to the final market introduction can be time-consuming, expensive, and highly regulated. It can take up to a decade. Final success depends on early access to accurate analytical results that are fast enough to make the right decisions during development and minimize late attrition. Today's drug development relies heavily on a rational approach. Typically, identifying the biological target is the first step. To identify the most promising candidates, it is necessary to have a deep understanding about their properties. Finding the most promising lead molecules can be a daunting task once a biological target is established. Lead discovery is typically the identification of potential drug candidates, either small organic molecules or biologic assembly with therapeutic potential.
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AutoDock
AutoDock is a set of automated docking tools. It predicts how small molecules, such sub- or drug candidates, will bind to a receptor with a known 3D structure. It has been improved over the years to add new functionalities and multiple engines were developed. AutoDock 4 is the current version, and AutoDock Vina is the latest. AutoDock-GPU is an accelerated version that runs hundreds of times faster than the original single CPU docking code. AutoDock 4 is actually composed of two main programs. Autodock docks the ligand to a list of grids that describe the target protein. Autogrid pre-calculates the grids. The atomic affinity grids can also be visualized. This can be used to help organic synthetic chemists create better binders.
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Aurora Drug Discovery
Aurora uses quantum mechanics, thermodynamics and an advanced continuous-water model for solvation effects in order to calculate ligand binding affinities. This approach is significantly different from the binding affinity predictions that are often based on scoring functions. Aurora algorithms are able to produce more precise and reliable binding free energies values by including the entropy as well as the aqueous electrostatic contribution directly into the calculations. The binding free energy is the measure of interaction between a ligand and a protein. The free energy (F), which is a thermodynamic quantity directly related to the experimentally measurable value for inhibition constant (IC50), and depends on the statistical properties of interacting molecules as well as electrostatic, quantum, and aqueous solver forces, is a thermodynamic quantity. Two major contributors to F's non-additivity are 1) the electrostatic and the solvation energy, and 2) the entropy.
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SYNTHIA Retrosynthesis Software
SYNTHIA™ Retrosynthesis software, developed by computer scientists and coded by chemists, allows scientists to quickly and easily navigate novel and innovative pathways for novel and previously published target molecules.
You can quickly and efficiently scan hundreds pathways to identify the best options for your needs.
Discover the most cost-effective route to your target molecule with the latest visualization and filtering features.
You can easily customize the search parameters to eliminate or highlight reactions, reagents, or classes of molecules.
Explore innovative and unique syntheses to build your desired molecule.
Easy to generate a list for starting materials that are commercially available for your synthesis.
ISO/IEC 27001 Information Security Certification will guarantee the confidentiality, integrity and protection of your data.
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Integrations
No Integrations at this time
Company Details
Company:
SilcsBio
Year Founded:
2012
Headquarters:
United States
Website:
silcsbio.com/software/
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Product Details
Platforms
SaaS
Type of Training
Documentation
Customer Support
Phone Support
Online
SILCS Features and Options
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