docking software

USAGE SUMMARY

The phrase "docking software" is correct and usable in written English.
It can be used when referring to software that facilitates the docking process of devices, such as smartphones or tablets, with a docking station or similar hardware. Example: "To ensure compatibility, please download the latest version of the docking software for your device."

✓ Grammatically correct

Science

Human-verified examples from authoritative sources

Exact Expressions

60 human-written examples

PDBQT files were generated with AutoDockTools127 for further utilization in AutoDock VINA v1.1.2128,129 docking software.

Nature

Notably, multiple grid arrangement facilitates the conformational search for a grid-based ligand docking software and can be applied to the state-of-the-art commercial docking software Glide (Schrödinger, LLC).

Computational Biology and Chemistry

When these criteria were applied to a set of 728 structures previously used to validate molecular docking software, only 17% were found to be acceptable.

Drug Discovery Today

The binding modes of a series of known activity inhibitors docking to Peptide deformylase (PDF) have been studied using molecular docking software AutoDock3.0.5.

Biophysical Chemistry

OEDocking TK [20] was used as the underlying docking software.

Journal of Cheminformatics

Henceforth, the new docking software is designated as VinaXB.

Journal of Cheminformatics

Even though our implementation uses a commercial molecular docking software by default, which is free only for academics, any other docking software can be used with minor adaption.

Journal of Cheminformatics

Initially, the performance of docking software was tested by re-docking experiment.

Chemistry Central Journal

Minor modifications to these modules can provide interfaces for other docking software packages.

Journal of Cheminformatics

The possible HSA paeoniflorin binding mode was predicted by molecular docking software AutoDock.

Chemistry Central Journal

The most often used docking software packages are CDOCKER [65], GOLD [66] and AutoDock [67].

Clinical and Translational Medicine

Expert writing Tips

Best practice

When describing "docking software", specify the version or algorithm used for clarity and reproducibility in research.

Common error

Avoid vague descriptions. Instead of saying "the software predicts binding", specify which scoring function or parameters were used for the prediction.

Linguistic Context

The phrase "docking software" primarily functions as a noun, specifically a compound noun. It refers to a category of computer programs. As shown by Ludwig, these programs are used in the field of computational chemistry.

Expression frequency: Very common

Frequent in

Science

100%

Less common in

News & Media

0%

Formal & Business

0%

Encyclopedias

0%

Ludwig's WRAP-UP

The term "docking software" is a noun phrase widely used in scientific and research contexts to describe computer programs used for molecular docking simulations. As indicated by Ludwig, it is grammatically correct and its use is very common, with a clear emphasis on its application within the science domain. When using this term, specificity regarding the software's version and algorithms is beneficial. While the phrase itself is straightforward, understanding its function and purpose within scientific discourse is key. Ludwig AI confirms the phrase’s correct and usable nature.

More alternative expressions

Phrases that express similar concepts, ordered by semantic similarity:

protein-ligand docking software

Explicitly states the interaction between proteins and ligands.

molecular docking program

Focuses on the molecular aspect of the docking process, emphasizing the program's function.

ligand docking tool

Highlights the tool's purpose in docking ligands to proteins or other molecules.

computational docking tool

Emphasizes the computational nature of the docking process.

docking simulation software

Emphasizes the simulation aspect of the docking procedure.

molecular modeling software for docking

Specifies the broader category of molecular modeling with a specific docking application.

structure-based docking software

Highlights the importance of structural information in the docking process.

in silico docking method

Specifies that the docking method is performed computationally.

virtual screening software for docking

Highlights that the goal is to screen compounds, not only docking them.

molecular interaction software

Broader term referring to the software's ability to represent molecular interactions.

FAQs

How is "docking software" used in research?

"Docking software" is used to predict the binding orientation of small molecules to a target protein, aiding in drug discovery and understanding molecular interactions.

What are some common features of "docking software"?

Common features include algorithms for pose prediction, scoring functions for affinity estimation, and tools for visualizing and analyzing the resulting complexes.

What are some alternatives to "docking software"?

Depending on the context, you might use alternatives like "molecular docking program", "ligand docking tool", or "molecular modeling software for docking".

What factors influence the accuracy of "docking software" predictions?

Accuracy is affected by the quality of the protein structure, the choice of scoring function, the treatment of water molecules, and the flexibility of the receptor and ligand.