BIOVIA TURBOMOLE

BIOVIA TURBOMOLE

Dassault Systèmes
SILCS

SILCS

SilcsBio
+
+

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About

BIOVIA TURBOMOLE is a high-performance quantum chemistry software package designed for ab initio electronic structure calculations across molecules, clusters, periodic systems, and solutions. Developed initially by the University of Karlsruhe and Forschungszentrum Karlsruhe GmbH, and now maintained by TURBOMOLE GmbH, it offers a comprehensive suite of computational methods, including density functional theory (DFT), Møller–Plesset perturbation theory, coupled-cluster techniques, and GW-Bethe–Salpeter methods. It excels in delivering accurate predictions for chemical reactions, spectroscopy, and optical device simulations, with features like reaction path optimizations, transition state searches, and solvation effects modeled using COSMO-RS. Spectroscopic capabilities encompass IR, Raman, VCD, UV-Vis, and vibronic spectra, while optical property simulations benefit from advanced spin-orbit coupling methods and relativistic all-electron calculations.

About

Site-Identification by Ligand Competitive Saturation (SILCS) generates 3D maps (FragMaps) of interaction patterns for chemical functional groups with your target molecule. Site-Identification by Ligand Competitive Saturation (SILCS) generates 3D maps (FragMaps) of interaction patterns for chemical functional groups with your target molecule. SILCS reveals intricacies of dynamics and provides tools to optimize ligand scaffolds using qualitative and quantitative binding pockets insights allowing more rapid and effective drug design. SILCS uses multiple small molecule probes with various functional groups, explicit solvent modeling, and target molecule flexibility to perform protein target mapping. Visualize favorable interactions with the target macromolecule. Gain insights to design better ligands with optimally placed functional groups.

Platforms Supported

Windows
Mac
Linux
Cloud
On-Premises
iPhone
iPad
Android
Chromebook

Platforms Supported

Windows
Mac
Linux
Cloud
On-Premises
iPhone
iPad
Android
Chromebook

Audience

Computational chemists and materials scientists seeking a tool for accurate and efficient quantum chemical simulations, enabling in-depth analysis of molecular structures, reactions, and properties

Audience

Laboratories searching for a dynamic molecule design software to create end-to-end drug design workflows

Support

Phone Support
24/7 Live Support
Online

Support

Phone Support
24/7 Live Support
Online

API

Offers API

API

Offers API

Screenshots and Videos

Screenshots and Videos

Pricing

No information available.
Free Version
Free Trial

Pricing

No information available.
Free Version
Free Trial

Reviews/Ratings

Overall 0.0 / 5
ease 0.0 / 5
features 0.0 / 5
design 0.0 / 5
support 0.0 / 5

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Reviews/Ratings

Overall 0.0 / 5
ease 0.0 / 5
features 0.0 / 5
design 0.0 / 5
support 0.0 / 5

This software hasn't been reviewed yet. Be the first to provide a review:

Review this Software

Training

Documentation
Webinars
Live Online
In Person

Training

Documentation
Webinars
Live Online
In Person

Company Information

Dassault Systèmes
Founded: 1981
France
www.3ds.com/products/biovia/turbomole

Company Information

SilcsBio
Founded: 2012
United States
silcsbio.com/software/

Alternatives

BIOVIA COSMO-RS

BIOVIA COSMO-RS

Dassault Systèmes

Alternatives

Aurora Drug Discovery

Aurora Drug Discovery

Aurora Fine Chemicals
BIOVIA COSMOtherm

BIOVIA COSMOtherm

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3decision

3decision

Discngine
InQuanto

InQuanto

Quantinuum
Khimera

Khimera

Kintech Laboratory
LigPlot+

LigPlot+

EMBL-EBI

Categories

Categories

Integrations

No info available.

Integrations

No info available.
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