Determination of mean and standard deviation of dihedral angles

R Döker1, T Maurer, W Kremer

  • 1Institut für Biophysik und Physikalische Biochemie, Universität Regensburg, Regensburg, D-93040, USA.

Related Concept Videos

Chair Conformation of Cyclohexane02:02

Chair Conformation of Cyclohexane

The chair conformation is the most stable form of cyclohexane due to the absence of angle and torsional strain. The absence of angle strain is a result of cyclohexane’s bond angle being very close to the ideal tetrahedral bond angle of 109.5° in its chair conformer. Similarly, the torsional strain is also absent owing to the perfectly staggered arrangement of bonds.
The hydrogen atoms linked to carbons are arranged in two different axial and equatorial orientations to achieve this staggered...
Stability of Conjugated Dienes01:28

Stability of Conjugated Dienes

Introduction
A comparison of the enthalpies of hydrogenation of dienes reveals that conjugated dienes release less heat on hydrogenation, rendering them more stable than their nonconjugated analogs.
Newman Projections02:06

Newman Projections

Different notations are used to represent the three-dimensional structure of molecules on two-dimensional surfaces. One of the most commonly used representations is the dash-wedge formula. The dashed wedges, solid wedges, and the plane lines indicate the groups situated behind the plane, coming out of the plane, and in the plane, respectively.
The organic molecules rotate across the single bonds leading to numerous temporary three-dimensional structures of varying energy known as conformers.
Standard Deviation of Calculated Results01:14

Standard Deviation of Calculated Results

Standard deviation measures the spread of data around the mean value. Many large data sets follow a Gaussian distribution, also known as a normal distribution. This distribution is bell-shaped curved, with the most frequently observed value (mean or central value) in the middle. The farther away from the central value, the greater the deviation from the central value, and the lower the frequency.
A broad Gaussian distribution curve has a wider standard deviation, representing a data set with...
Distributions to Estimate Population Parameter01:26

Distributions to Estimate Population Parameter

The accurate values of population parameters such as population proportion, population mean, and population standard deviation (or variance) are usually unknown. These are fixed values that can only be estimated from the data collected from the samples. The estimates of each of these parameters are sample proportion, the sample mean, and sample standard deviation (or variance). To obtain the values of these sample statistics, data are required that have particular distribution and central...
Calculating Standard Deviation01:08

Calculating Standard Deviation

The standard deviation is the most common measure of variation. It is a value that tells us how far a data value is from the mean value in a dataset. Further, the standard deviation is always a positive value or zero.
The standard deviation value is small when all the data is concentrated close to the mean. Here the data exhibits low variation. The standard deviation value is larger when the data values are more spread out from the mean. Here, the data displays high variation.       
Let us...