molecular docking experiment

USAGE SUMMARY

The phrase "molecular docking experiment" is correct and usable in written English.
It can be used in scientific contexts, particularly in biochemistry and pharmacology, to describe a method for predicting the interaction between molecules, such as a drug and its target protein. Example: "The results of the molecular docking experiment indicated a strong binding affinity between the ligand and the receptor."

✓ Grammatically correct

Science

Human-verified examples from authoritative sources

Exact Expressions

5 human-written examples

MOE docking software was utilized to perform the molecular docking experiment.

Chemistry Central Journal

A major difficulty for virtual screening using AutoDock4 is the time necessary for each molecular docking experiment.

Journal of Cheminformatics

The structures have been validated through detailed analysis of the Ludi score values and by molecular docking experiment using FlexX.

Bioorganic & Medicinal Chemistry

To investigate the effect of the different variation of the original skeletons, a molecular docking experiment has been done with correlation to CVB4 2A proteinases.

Chemistry Central Journal

Molecular docking experiment was performed using AutoDock Vina [ 18], which automatically calculates the grid maps.

BioMed Research International

Human-verified similar examples from authoritative sources

Similar Expressions

55 human-written examples

Molecular docking experiments showed 11b to possess rational binding modes to both the enzymes.

European Journal of Medicinal Chemistry

LibDock, a module of Discovery Studio 3.5 software (DS3.5, Accelrys, San Diego, CA, USA), was used for molecular docking experiments.

Bioresources and Bioprocessing

Molecular docking experiments verified the results and explained the molecular mechanism of pretty activities to c-Met.

European Journal of Medicinal Chemistry

Molecular docking experiments were performed to clarify the molecular aspects of the observed COX and LOX inhibitory activities of the investigated compounds.

Bioorganic & Medicinal Chemistry

Molecular docking experiments were in agreement with kinetic results indicating reliable interactions with both the catalytic cleft and other sites.

Bioorganic & Medicinal Chemistry Letters

Molecular docking experiments demonstrated that 3k possessed superior affinity with target enzyme by strong hydrogen bond from morpholine ring.

European Journal of Medicinal Chemistry

Expert writing Tips

Best practice

When describing your research, clearly state the software and scoring functions used in the "molecular docking experiment" to ensure reproducibility and transparency.

Common error

Avoid vague descriptions like "standard docking". Instead, specify grid size, search algorithms, and any constraints applied during the "molecular docking experiment".

Linguistic Context

The phrase "molecular docking experiment" functions as a noun phrase, typically used as a subject or object within a sentence to describe a specific type of scientific procedure. As seen from Ludwig, it denotes a computational method for predicting binding interactions between molecules.

Expression frequency: Rare

Frequent in

Science

100%

Less common in

Formal & Business

0%

News & Media

0%

Academia

0%

Ludwig's WRAP-UP

The phrase "molecular docking experiment" accurately describes a computational technique used to predict the interaction between molecules, particularly in fields like biochemistry and pharmacology. Ludwig AI analysis confirms its grammatical correctness and suitability for scientific writing. The phrase is primarily found in formal, scientific contexts, as evidenced by its frequent use in academic journals. While "molecular docking experiment" is correct, there are alternative phrases – such as "docking experiment" or "molecular docking simulation" – that can be used depending on the specific nuance intended.

More alternative expressions

Phrases that express similar concepts, ordered by semantic similarity:

docking experiment

Shortened form omitting "molecular"; suitable when the context already implies molecular interactions.

molecular docking simulation

Emphasizes the computational aspect of the experiment, highlighting its simulated nature.

in silico docking experiment

Highlights that the experiment is performed computationally, 'in silico'.

computational docking study

Focuses on the study aspect, framing it as a computational analysis.

molecular interaction simulation

Broadens the scope to any molecular interaction, not specifically docking.

ligand-protein docking analysis

Specifically mentions the ligand-protein interaction, useful for clarity.

docking procedure

Focuses on the method or steps involved in performing the docking.

molecular binding assay

Shifts the focus to measuring the binding affinity rather than the docking process itself.

structure-based virtual screening

Describes a broader technique encompassing molecular docking for identifying potential drug candidates.

computer-aided drug design docking

Highlights the application of molecular docking in the context of drug design.

FAQs

How is a "molecular docking experiment" used in research?

A "molecular docking experiment" is used to predict the binding orientation of a ligand to a protein or other macromolecule. This helps researchers understand molecular interactions and design new drugs.

What is the difference between a "molecular docking experiment" and a molecular dynamics simulation?

A "molecular docking experiment" predicts the static pose of a ligand within a protein, while molecular dynamics simulations assess the dynamic behavior of the complex over time, accounting for flexibility and movement.

What software is commonly used for a "molecular docking experiment"?

Common software for "molecular docking experiment" includes AutoDock, AutoDock Vina, GOLD, Glide, and MOE. The choice depends on factors like accuracy needs and computational resources.

What can I say instead of "molecular docking experiment"?

You can use alternatives like "docking experiment", "molecular docking simulation", or "in silico docking experiment" depending on the specific context.