Journal Article

FZJ-2020-00274

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png diSTruct v1.0: generating biomolecular structures from distance constraints

Taubert, O. ; Reinartz, I. ; Meyerhenke, H. ; Schug, A. (Corresponding author)FZJ*

2019
Oxford Univ. Press Oxford

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Please use a persistent id in citations: http://hdl.handle.net/2128/23915  doi:10.1093/bioinformatics/btz578

Abstract: The distance geometry problem is often encountered in molecular biology and the life sciences at large, as a host of experimental methods produce ambiguous and noisy distance data. In this note, we present diSTruct; an adaptation of the generic MaxEnt-Stress graph drawing algorithm to the domain of biological macromolecules. diSTruct is fast, provides reliable structural models even from incomplete or noisy distance data and integrates access to graph analysis tools.

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Contributing Institute(s):

1. Jülich Supercomputing Center (JSC)

Research Program(s):

1. 511 - Computational Science and Mathematical Methods (POF3-511) (POF3-511)
2. HAF - Helmholtz Analytics Framework (ZT-I-0003) (ZT-I-0003)

Appears in the scientific report 2019

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Database coverage:
; ; BIOSIS Previews ; Clarivate Analytics Master Journal List ; Current Contents - Life Sciences ; Ebsco Academic Search ; IF >= 5 ; JCR ; NCBI Molecular Biology Database ; Nationallizenz ; PubMed Central ; SCOPUS ; Science Citation Index ; Science Citation Index Expanded ; Web of Science Core Collection

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