molecular docking study

USAGE SUMMARY

The phrase "molecular docking study" is correct and usable in written English.
It is typically used in scientific contexts, particularly in biochemistry and pharmacology, to refer to a method that predicts how a molecule, such as a drug, interacts with a target protein. Example: "The results of the molecular docking study indicated a strong binding affinity between the compound and the target enzyme."

✓ Grammatically correct

Science

Human-verified examples from authoritative sources

Exact Expressions

60 human-written examples

Molecular docking study of studied compounds (1, 8, 9, 10) against anticancer targets aromatase (PDB: 3EQM), quinone reductase (PDB: 3G5M) showed active conformations comparable to control molecule.

Chemistry Central Journal

The results were further investigated by molecular docking study.

Bioorganic & Medicinal Chemistry Letters

In order to compare the inhibitory effects of curcumin and its degradation products on AD-realted AChE and BACE-1, we performed molecular docking study.

Nature

Mechanistic insights about protein ligand interactions were obtained using molecular docking study.

Bioorganic Chemistry

Molecular docking study revealed critical residues aiding tight anchoring NADPH within the active pocket of DXR.

FEBS Open Bio

Molecular docking study showed that oxaliplatin bind to residues located in subdomain IIA of HSA.

Colloids and Surfaces B: Biointerfaces

Consequently, a molecular docking study was performed for three of these promising novel compounds.

Bioorganic & Medicinal Chemistry

Molecular docking study shows qualitatively consistent with the results of biological assays.

European Journal of Medicinal Chemistry

The binding mode of compound 88 to tubulin was also investigated utilizing a molecular docking study.

European Journal of Medicinal Chemistry

Possibly important biological activity of BMMBI molecule was also confirmed by molecular docking study.

Journal of Molecular Structure

Finally, the HDAC8 selectivity of 12a, 12b and 12c was rationalized by molecular docking study.

European Journal of Medicinal Chemistry

Expert writing Tips

Best practice

When describing a "molecular docking study", clearly state the software and parameters used for reproducibility.

Common error

Avoid using "molecular docking" as a synonym for the broader field of molecular modeling. "Molecular docking" specifically refers to the process of predicting the binding orientation of a molecule to a target.

Linguistic Context

The phrase "molecular docking study" functions as a noun phrase that refers to a specific type of computational research method. It typically acts as the subject or object of a sentence, describing the action or purpose of the research as evidenced by Ludwig.

Expression frequency: Very common

Frequent in

Science

100%

Less common in

News & Media

0%

Formal & Business

0%

Academia

0%

Ludwig's WRAP-UP

The phrase "molecular docking study" is a common noun phrase in scientific literature, particularly in the fields of chemistry, biology, and pharmacology. According to Ludwig AI, the phrase is grammatically correct. It describes a computational method used to predict how molecules interact. Ludwig's analysis of usage patterns reveals that this phrase is almost exclusively found in scientific contexts. When writing about this topic, be precise about the methods and software used. Related terms include "docking simulation" and "in silico docking".

More alternative expressions

Phrases that express similar concepts, ordered by semantic similarity:

docking analysis

A shorter, more general term for the same concept.

in silico docking

This specifies that the docking is performed computationally.

computational docking

Similar to "in silico docking", emphasizing the computational nature.

docking simulation

This alternative focuses on the simulation aspect of the docking process.

ligand-protein docking

This highlights the specific interaction between a ligand and a protein.

receptor-ligand interaction study

This emphasizes the interaction between a receptor and a ligand.

molecular interaction analysis

This phrase broadens the scope to include any type of interaction between molecules, not just docking.

molecular modeling of binding

This alternative highlights the use of molecular modeling techniques to study binding interactions.

structure-based virtual screening

This focuses on using the structure of a molecule to screen for potential interactions.

molecular recognition study

This term focuses on the recognition process between molecules.

FAQs

How is a "molecular docking study" used in drug discovery?

A "molecular docking study" helps predict how potential drug candidates interact with target proteins, guiding the selection of compounds with high binding affinity and specificity. It is a key method in "structure-based drug design".

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

Common software includes AutoDock, Vina, Glide, and GOLD. The choice of software depends on the specific needs of the study, such as the size of the molecules being docked and the desired level of accuracy.

What are the limitations of a "molecular docking study"?

Limitations include inaccuracies in scoring functions, which may not perfectly predict binding affinity, and the static nature of docking, which may not fully capture the dynamic flexibility of proteins and ligands. The "accuracy of molecular docking" is limited by these factors.

How does a "molecular docking study" differ from molecular dynamics simulations?

A "molecular docking study" predicts the binding pose of a ligand to a receptor, while molecular dynamics simulations explore the dynamic behavior of molecules over time, providing insights into flexibility and conformational changes. Both methods can be used to understand "molecular interactions", but they offer different types of information.