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What is SILCS?

Site-Identification by Ligand Competitive Saturation (SILCS) generates three-dimensional representations called FragMaps, which depict the interactions of various chemical functional groups with a designated target molecule. By uncovering the intricacies of molecular dynamics, SILCS provides essential tools that facilitate the refinement of ligand scaffolds, offering both qualitative and quantitative perspectives on binding sites, which ultimately aids in optimizing the drug design workflow. This methodology utilizes a selection of small molecule probes, each possessing a variety of functional groups, along with explicit solvent modeling and the flexibility of the target molecule to effectively map protein targets. Moreover, the technique empowers researchers to visualize beneficial interactions with the target macromolecule, allowing for a more informed design process. Armed with these insights, scientists can strategically engineer enhanced ligands with functional groups positioned for maximum efficacy. The pioneering approach of SILCS marks a noteworthy leap forward in the realm of medicinal chemistry, opening new avenues for drug discovery and development. Through its advanced analytical capabilities, SILCS not only enhances understanding but also drives innovation in therapeutic design.

What is BIOVIA TURBOMOLE?

BIOVIA TURBOMOLE is a cutting-edge software suite designed for quantum chemistry, focusing on ab initio electronic structure calculations applicable to diverse systems like molecules, clusters, periodic structures, and solutions. Initially created at the University of Karlsruhe and Forschungszentrum Karlsruhe GmbH, it is now overseen by TURBOMOLE GmbH, which has broadened its functionality to encompass a variety of computational techniques, including density functional theory (DFT), Møller–Plesset perturbation theory, coupled-cluster methods, and GW-Bethe–Salpeter approaches. The software is particularly notable for its accuracy in predicting outcomes related to chemical reactions, spectroscopy, and the simulation of optical devices. Among its standout features are the optimization of reaction pathways, identification of transition states, and the modeling of solvation effects using COSMO-RS. Furthermore, its spectroscopic capabilities span a multitude of methods such as IR, Raman, VCD, UV-Vis, and vibronic spectra, while its optical property simulations are bolstered by advanced techniques for spin-orbit coupling and relativistic all-electron calculations. As a result, BIOVIA TURBOMOLE proves to be an invaluable tool for researchers delving into intricate chemical systems and their underlying properties, paving the way for innovative discoveries in the field of quantum chemistry. With its comprehensive range of features, it continues to be a cornerstone for academics and industry professionals alike.

Media

Media

Integrations Supported

Additional information not provided

Integrations Supported

Additional information not provided

API Availability

Has API

API Availability

Has API

Pricing Information

Pricing not provided.
Free Trial Offered?
Free Version

Pricing Information

Pricing not provided.
Free Trial Offered?
Free Version

Supported Platforms

SaaS
Android
iPhone
iPad
Windows
Mac
On-Prem
Chromebook
Linux

Supported Platforms

SaaS
Android
iPhone
iPad
Windows
Mac
On-Prem
Chromebook
Linux

Customer Service / Support

Standard Support
24 Hour Support
Web-Based Support

Customer Service / Support

Standard Support
24 Hour Support
Web-Based Support

Training Options

Documentation Hub
Webinars
Online Training
On-Site Training

Training Options

Documentation Hub
Webinars
Online Training
On-Site Training

Company Facts

Organization Name

SilcsBio

Date Founded

2012

Company Location

United States

Company Website

silcsbio.com/software/

Company Facts

Organization Name

Dassault Systèmes

Date Founded

1981

Company Location

France

Company Website

www.3ds.com/products/biovia/turbomole

Categories and Features

Categories and Features

Chemical

Certificates of Analysis
Chemical Process Simulation
Computer-Assisted Structure Elucidation (CASE)
ISO Management
Inventory Management
Particle Tracking
Reporting & Statistics
Samples Tracking
Traceability
Uncertainty Analysis

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