ADP_EM: fast exhaustive multi-resolution docking for high-throughput coverage.

ADP_EM: fast exhaustive multi-resolution docking for high-throughput coverage. Research Abstract Details 

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ADP_EM: fast exhaustive multi-resolution docking for high-throughput coverage. Abstract Text:

,Julio Kovacs,Ruben Abagyan,Pablo ,

MOTIVATION: Efficient fitting tools are needed to take advantage of a fast growth of atomic models of protein domains from crystallography or comparative modeling, and low-resolution density maps of larger molecular assemblies. Here, we report a novel fitting algorithm for the exhaustive and fast overlay of partial high-resolution models into a low-resolution density map. The method incorporates a fast rotational search based on spherical harmonics (SH) combined with a simple translational scanning. RESULTS: This novel combination makes it possible to accurately dock atomic structures into low-resolution electron-density maps in times ranging from seconds to a few minutes. The high-efficiency achieved with simulated and experimental test cases preserves the exhaustiveness needed in these heterogeneous-resolution merging tools. The results demonstrate its efficiency, robustness and high-throughput coverage. AVAILABILITY: http://sbg.cib.csic.es/Software/ADP_EM. SUPPLEMENTARY INFORMATION: Supplementary data are available at Bioinformatics online.

ADP_EM: fast exhaustive multi-resolution docking for high-throughput coverage. Publishing Authors By Initials

JI ,J Kovacs,R Abagyan,P ,

For similar investigative techniques: genetic techniques: sequence analysis: sequence analysis, protein research abstracts see: investigative techniques: genetic techniques: sequence analysis: sequence analysis, protein research

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ADP_EM: fast exhaustive multi-resolution docking for high-throughput coverage. Journal Published:

PUBLICATION TYPE: Research Support, Non-U.S. Gov

Journal: Bioinformatics (Oxford, England)

VOLUME: 23

Page Numbers: 427-33

Journal Abbreviation: Bioinformatics

ISSN: 1460-2059

DAY: 6

MONTH: 12

YEAR: 2006

ADP_EM: fast exhaustive multi-resolution docking for high-throughput coverage. Information

Number of References:

LANGUAGE: eng

NlmUniqueID: 9808944

ADP_EM: fast exhaustive multi-resolution docking for high-throughput coverage. Keywords Mesh Terms:

KEYWORDS: Sequence Analysis, Protein

MESH TERMS: methods

Chemical & Substance for Abstract: ADP_EM: fast exhaustive multi-resolution docking for high-throughput coverage. Information

Substance Name: Proteins

Registry Number: 0

Grant and Affiliation Information for ADP_EM: fast exhaustive multi-resolution docking for high-throughput coverage.

AFFILIATION: Centro de Investigaciones Biológicas, CSIC Ramiro de Maeztu 9, 28040 Madrid, Spain.

Country: England

AGENCY: United States NIGMS

GRANT: 1-R01-GM071872-01

ACRONYM: GM

MEDLINETA: Bioinformatics

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