Linked Life Data

1467334

Source:http://linkedlifedata.com/resource/pubmed/id/1467334

Statements in which the resource exists as a subject.
PredicateObject
rdf:type
lifeskim:mentions
pubmed:issue
3
pubmed:dateCreated
1993-1-28
pubmed:abstractText
FOCUS is a program for analyzing molecular dynamics simulations. It enables the researcher to monitor structural and energetic properties during the trajectory, and to calculate the corresponding statistical averages, correlation functions and Fourier transforms. In addition to these conventional methods, the program also utilizes novel methods based on digital signal-processing techniques to characterize the various motions. The characteristic frequencies in the system are revealed by the frequency distribution function g(v), which is calculated from the Fourier transform of the atomic coordinates. A filtering technique is employed to remove uninteresting motion (e.g., high-frequency bond stretching) while retaining and focusing on important motion (e.g., low-frequency conformational motion). The filtering technique enables fast display of slow events without getting a blurry or jittery picture due to the high-frequency motions. Another new way for analyzing the motion is by extracting "characteristic modes" and associated frequencies. This yields a pictorial description of the oscillatory motions in a manner analogous to normal mode analysis.
pubmed:language
eng
pubmed:journal
pubmed:citationSubset
IM
pubmed:chemical
pubmed:status
MEDLINE
pubmed:month
Sep
pubmed:issn
0263-7855
pubmed:author
pubmed:issnType
Print
pubmed:volume
10
pubmed:owner
NLM
pubmed:authorsComplete
Y
pubmed:pagination
178-84, 164
pubmed:dateRevised
2000-12-18
pubmed:meshHeading
pubmed:year
1992
pubmed:articleTitle
FOCUS: a program for analyzing molecular dynamics simulations, featuring digital signal-processing techniques.
pubmed:affiliation
Molecular Graphics Unit, University of Bath, UK.
pubmed:publicationType
Journal Article