Jove
Visualize
Contact Us
JoVE
x logofacebook logolinkedin logoyoutube logo
ABOUT JoVE
OverviewLeadershipBlogJoVE Help Center
AUTHORS
Publishing ProcessEditorial BoardScope & PoliciesPeer ReviewFAQSubmit
LIBRARIANS
TestimonialsSubscriptionsAccessResourcesLibrary Advisory BoardFAQ
RESEARCH
JoVE JournalMethods CollectionsJoVE Encyclopedia of ExperimentsArchive
EDUCATION
JoVE CoreJoVE BusinessJoVE Science EducationJoVE Lab ManualFaculty Resource CenterFaculty Site
Terms & Conditions of Use
Privacy Policy
Policies

Related Concept Videos

Virtual Work01:20

Virtual Work

1.4K
The principle of virtual work states that if a body is in static and dynamic equilibrium, then the sum of all the virtual work done by all external forces and couple moments for any given virtual displacement must be zero.
In static equilibrium, a body can experience an imaginary or virtual movement, such as displacement or rotation. The virtual work done by a force is equal to the dot product of force and virtual displacement in the direction of the force. When it comes to virtually rotating a...
1.4K
Inverse Trigonometric Functions01:29

Inverse Trigonometric Functions

307
Inverse trigonometric functions are fundamental mathematical tools that reverse the actions of standard trigonometric functions. While trigonometric functions map angles to ratios, inverse trigonometric functions perform the opposite operation by mapping a ratio back to its corresponding angle. These functions are essential in various applications, particularly in determining angles when given specific distances, such as calculating elevation angles in navigation and engineering.For a function...
307
Inverse Hyperbolic Functions and Their Derivatives01:25

Inverse Hyperbolic Functions and Their Derivatives

81
The shape of a suspension bridge cable hanging under its own weight is described by a catenary curve, which is modeled using the hyperbolic cosine function. This mathematical model accurately captures the balance between gravity and tension acting along the cable. When a particular vertical position on the cable is known, the corresponding horizontal position can be determined using the inverse hyperbolic cosine function, allowing for a detailed analysis of the cable's geometry.Inverse...
81
Derivatives of Inverse Trigonometric Functions01:30

Derivatives of Inverse Trigonometric Functions

435
A ship tracking an approaching aircraft relies on geometric measurements to find out the aircraft’s position relative to the observer. By measuring the slant distance to the aircraft and the angle of elevation, the horizontal and vertical components of the distance can be obtained using trigonometric relationships. This geometric approach provides a basis for analyzing how the observed angle changes as the aircraft moves closer to the ship.To examine the mathematical behavior of the angle...
435
Principle of Virtual Work: Problem Solving01:13

Principle of Virtual Work: Problem Solving

1.7K
The principle of virtual work is an essential concept in the field of mechanics and engineering. This is used to solve problems related to the equilibrium of a structure or system. It is based on the assumption that if a system is in equilibrium, the work done by all the forces during a virtual displacement is zero. This principle is applied by considering virtual displacements of the system and the corresponding work done by internal and external forces.
To apply the principle of virtual work,...
1.7K
Hyperbolic and Inverse Hyperbolic Functions: Problem Solving01:30

Hyperbolic and Inverse Hyperbolic Functions: Problem Solving

131
An arched gate can be effectively modeled using a hyperbolic cosine profile because this type of function is smooth and symmetric about the vertical axis. When the arch is centered at the origin, its maximum height occurs at the center point. This symmetry ensures that any height below the crown of the arch is reached at two horizontal positions that are equal in distance from the centerline but lie on opposite sides.To determine where the gate reaches a height of five meters, the height of the...
131

You might also read

Related Articles

Articles linked to this work by shared authors, journal, and citation graph.

Sort by
Same author

A Universal Preparation Strategy for Carbon-Supported Metal Catalysts with Excellent Hydrogenation Performance: Ligand Regulation-Assisted Solution Carbonization.

Inorganic chemistry·2026
Same author

PIP<sub>2</sub> activation of the cardiac I<sub>Ks</sub> potassium channel.

Nature communications·2026
Same author

In Situ Converted High-Loading Membranes With Molecularly Dispersed Porous Organic Cages for Superior CO<sub>2</sub>/N<sub>2</sub> Separation.

Angewandte Chemie (International ed. in English)·2026
Same author

Highly Selective Separation of Hydrogen Isotopes via the Construction of Ionic-Bonded Organic Frameworks.

Analytical chemistry·2026
Same author

Prevalence and multidimensional factors associated with work-related musculoskeletal disorders in Chinese gas station workers.

Scientific reports·2026
Same author

Docking-based virtual screening: Past, present, and future.

Biophysical journal·2026
Same journal

Tracheal nebulization of AAV-CRE for lung conditional knockout model construction and whole lung clearing.

Biophysics reports·2026
Same journal

Quantifying telomere length: from bulk assays to single-molecule resolution.

Biophysics reports·2026
Same journal

Enrichment and amplification of secreted α-synuclein from cellular model and saliva of patients with synucleinopathies.

Biophysics reports·2026
Same journal

Recent advancements in sample pretreatment methods for glycoproteomics.

Biophysics reports·2026
Same journal

Structural basis for the ion selectivity of potassium-chloride cotransporter KCC4 revealed by cryo-EM titration.

Biophysics reports·2026
Same journal

Leveraging pre-trained AI models for robust promoter sequence design in synthetic biology.

Biophysics reports·2026
See all related articles

Related Experiment Video

Updated: Feb 12, 2026

Screening Traditional Chinese Medicine Compounds for Inhibiting UCHL3 Activity Based on Molecular Docking and Deubiquitinating Enzyme Probe Technology
10:25

Screening Traditional Chinese Medicine Compounds for Inhibiting UCHL3 Activity Based on Molecular Docking and Deubiquitinating Enzyme Probe Technology

Published on: November 22, 2024

700

Docking-based inverse virtual screening: methods, applications, and challenges.

Xianjin Xu1,2,3,4, Marshal Huang1,3, Xiaoqin Zou1,2,3,4

  • 11Dalton Cardiovascular Research Center, University of Missouri, Columbia, MO 65211 USA.

Biophysics Reports
|March 27, 2018
PubMed
Summary
This summary is machine-generated.

Docking-based inverse virtual screening (IVS) aids drug discovery by computationally identifying protein targets for small-compound ligands. This review details IVS methods, tools, and applications, highlighting its potential for pharmaceutical engineering.

Keywords:
Drug repositioningInverse virtual screeningMolecular dockingPolypharmacologySide effectsTarget fishing

More Related Videos

A Robust Method for the Large-Scale Production of Spheroids for High-Content Screening and Analysis Applications
06:40

A Robust Method for the Large-Scale Production of Spheroids for High-Content Screening and Analysis Applications

Published on: December 28, 2021

4.0K
The Use of Pharmacological-challenge fMRI in Pre-clinical Research: Application to the 5-HT System
11:27

The Use of Pharmacological-challenge fMRI in Pre-clinical Research: Application to the 5-HT System

Published on: April 25, 2012

16.0K

Related Experiment Videos

Last Updated: Feb 12, 2026

Screening Traditional Chinese Medicine Compounds for Inhibiting UCHL3 Activity Based on Molecular Docking and Deubiquitinating Enzyme Probe Technology
10:25

Screening Traditional Chinese Medicine Compounds for Inhibiting UCHL3 Activity Based on Molecular Docking and Deubiquitinating Enzyme Probe Technology

Published on: November 22, 2024

700
A Robust Method for the Large-Scale Production of Spheroids for High-Content Screening and Analysis Applications
06:40

A Robust Method for the Large-Scale Production of Spheroids for High-Content Screening and Analysis Applications

Published on: December 28, 2021

4.0K
The Use of Pharmacological-challenge fMRI in Pre-clinical Research: Application to the 5-HT System
11:27

The Use of Pharmacological-challenge fMRI in Pre-clinical Research: Application to the 5-HT System

Published on: April 25, 2012

16.0K

Area of Science:

  • Computational chemistry
  • Drug discovery
  • Pharmacology

Background:

  • Identifying protein targets for drug development is challenging due to the vast number of human proteins.
  • Experimental screening of all proteins for a ligand is often infeasible.

Purpose of the Study:

  • To review docking-based inverse virtual screening (IVS) methods, tools, and applications in drug discovery.
  • To discuss the challenges and future potential of IVS in pharmaceutical engineering.

Main Methods:

  • Review of target databases, docking engines, and scoring function methodologies used in IVS.
  • Analysis of web servers designed for non-expert IVS users.
  • Examination of IVS applications in target identification, toxicity prediction, drug repositioning, and network development.

Main Results:

  • Docking-based IVS has evolved significantly over the past decade.
  • Numerous web servers and applications demonstrate the utility of IVS.
  • IVS facilitates various drug discovery research purposes.

Conclusions:

  • Docking-based IVS is a valuable computational tool for identifying potential drug targets.
  • Further development is needed to establish IVS as a robust pharmaceutical engineering tool.
  • IVS shows promise for accelerating drug discovery and development.