Related Experiment Video

Updated: Feb 16, 2026

Author Spotlight: Streamlining Protein Target Prediction and Validation via Molecular Docking and CETSA
10:21

Author Spotlight: Streamlining Protein Target Prediction and Validation via Molecular Docking and CETSA

Published on: February 23, 2024

3.8K

Predictive Power of Different Types of Experimental Restraints in Small Molecule Docking: A Review

Darwin Y Fu1, Jens Meiler1

  • 1Department of Chemistry Vanderbilt University Nashville, Tennessee 37235, United States.

Journal of Chemical Information and Modeling
|December 30, 2017
PubMed

Keywords:
Computer-aided drug designExperimental restraintsHybrid methodsInterface informationMolecular similarityReceptor side informationSARSmall molecule dockingSmall molecule informationStructure-based drug discovery

More Related Videos

Point-of-Care Ultrasound: A Review of Ultrasound Parameters for Predicting Difficult Airways08:21

Point-of-Care Ultrasound: A Review of Ultrasound Parameters for Predicting Difficult Airways

Published on: April 7, 2023

2.4K
Use of Viral Entry Assays and Molecular Docking Analysis for the Identification of Antiviral Candidates against Coxsackievirus A1606:03

Use of Viral Entry Assays and Molecular Docking Analysis for the Identification of Antiviral Candidates against Coxsackievirus A16

Published on: July 15, 2019

8.4K

Related Concept Videos

Types of Signaling Molecules01:32

Types of Signaling Molecules

In multicellular organisms, many molecules transmit signals between cells to pass information. These signals vary in complexity and include small peptides, nucleotides, steroids, fatty acid derivatives, and dissolved gases such as nitric oxide. Some signaling molecules diffuse through the plasma membrane to act locally between neighboring cells or travel long distances. Others remain attached to the cell surface, transmitting information to other cells only when they make contact. In some...
13.5K
Predicting Molecular Geometry02:27

Predicting Molecular Geometry

VSEPR Theory for Determination of Electron Pair Geometries
46.2K
Cell Adhesion Molecules - Types and Functions01:20

Cell Adhesion Molecules - Types and Functions

Cell adhesion molecules (CAMs) are pivotal to multicellularity and the coordinated functioning of tissues and organ systems. They enable physical interactions between cells and provide mechanical strength to tissues. They also function as receptors for signal transmission across the plasma membrane. The CAMs are broadly classified into four families - integrins, cadherins, selectins, and immunoglobulin-like CAMs (IgCAMs).
CAM Families
The Integrin family of proteins is primarily  involved...
9.9K
Review and Preview01:10

Review and Preview

In statistics, several tools are used to interpret the data. Measures of central tendency represent the characteristics of the data, such as mean, median, and mode. Additionally, measures of variance like standard deviation and range are used to find the spread of data from the mean. Relative standing measures the distance between data locations. Commonly used measures of relative standings are percentile, z score, and quartiles.
Percentiles are a type of fractile that partition data into...
8.4K
Review and Preview01:13

Review and Preview

Data are individual items of information obtained from a population or sample. Data may be classified as qualitative (categorical), quantitative continuous, or quantitative discrete. Because it is not practical to measure the entire population in a study, researchers use samples to represent the population. A random sample is a representative group from the population chosen by using a method that gives each individual in the population an equal chance of being included in the sample. Random...
11.6K
Power01:08

Power

The concept of work involves force and displacement; meanwhile, the work-energy theorem relates the net work done on a body to the difference in its kinetic energy, calculated between two points on its trajectory. While none of these quantities or relations involves time explicitly, we know that the time available to accomplish work is often just as important as the amount of work itself. For example, sprinters in a race may have achieved the same velocity at the finish, therefore,...
13.1K