A flexibility index for analysis of bio-molecular complexes

Carlos A. Del Carpio M; Eichiro Ichiishi; Michihisa Koyama; Momoji Kubo; Akira Miyamoto

A flexibility index for analysis of bio-molecular complexes

Carlos A. Del Carpio M, Eichiro Ichiishi, Michihisa Koyama, Momoji Kubo, Akira Miyamoto

Research output: Chapter in Book/Report/Conference proceeding › Conference contribution

Abstract

Molecular flexibility change at bio macro-molecular complex formation is an important factor in molecular recognition and function analysis. We propose an index to compute flexibility loss/gain at complex formation/separation. The algorithm performs a rigidity and/or flexibility evaluation of every node (atom) on the network constituted by all the intra and inter-molecular inter-atomic interactions. Comparison of flexible or rigid molecular regions or domains within the complex with those in the respective isolated monomers leads to the index, quantifying the loss (or gain) in the number of degrees of freedom at complex formation. The index can also be applied to ranking decoys output by docking algorithms.

Original language	English
Title of host publication	International Joint Conference on Neural Networks 2006, IJCNN '06
Pages	2337-2344
Number of pages	8
Publication status	Published - 2006 Dec 1
Event	International Joint Conference on Neural Networks 2006, IJCNN '06 - Vancouver, BC, Canada Duration: 2006 Jul 16 → 2006 Jul 21

Publication series

Name	IEEE International Conference on Neural Networks - Conference Proceedings
ISSN (Print)	1098-7576

Other

Other	International Joint Conference on Neural Networks 2006, IJCNN '06
Country/Territory	Canada
City	Vancouver, BC
Period	06/7/16 → 06/7/21

ASJC Scopus subject areas

Software

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A flexibility index for analysis of bio-molecular complexes. / Del Carpio M, Carlos A.; Ichiishi, Eichiro; Koyama, Michihisa et al.

International Joint Conference on Neural Networks 2006, IJCNN '06. 2006. p. 2337-2344 1716405 (IEEE International Conference on Neural Networks - Conference Proceedings).

Research output: Chapter in Book/Report/Conference proceeding › Conference contribution

Del Carpio M, CA, Ichiishi, E, Koyama, M, Kubo, M & Miyamoto, A 2006, A flexibility index for analysis of bio-molecular complexes. in International Joint Conference on Neural Networks 2006, IJCNN '06., 1716405, IEEE International Conference on Neural Networks - Conference Proceedings, pp. 2337-2344, International Joint Conference on Neural Networks 2006, IJCNN '06, Vancouver, BC, Canada, 06/7/16.

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abstract = "Molecular flexibility change at bio macro-molecular complex formation is an important factor in molecular recognition and function analysis. We propose an index to compute flexibility loss/gain at complex formation/separation. The algorithm performs a rigidity and/or flexibility evaluation of every node (atom) on the network constituted by all the intra and inter-molecular inter-atomic interactions. Comparison of flexible or rigid molecular regions or domains within the complex with those in the respective isolated monomers leads to the index, quantifying the loss (or gain) in the number of degrees of freedom at complex formation. The index can also be applied to ranking decoys output by docking algorithms.",

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year = "2006",

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AU - Ichiishi, Eichiro

AU - Koyama, Michihisa

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AU - Miyamoto, Akira

PY - 2006/12/1

Y1 - 2006/12/1

N2 - Molecular flexibility change at bio macro-molecular complex formation is an important factor in molecular recognition and function analysis. We propose an index to compute flexibility loss/gain at complex formation/separation. The algorithm performs a rigidity and/or flexibility evaluation of every node (atom) on the network constituted by all the intra and inter-molecular inter-atomic interactions. Comparison of flexible or rigid molecular regions or domains within the complex with those in the respective isolated monomers leads to the index, quantifying the loss (or gain) in the number of degrees of freedom at complex formation. The index can also be applied to ranking decoys output by docking algorithms.

AB - Molecular flexibility change at bio macro-molecular complex formation is an important factor in molecular recognition and function analysis. We propose an index to compute flexibility loss/gain at complex formation/separation. The algorithm performs a rigidity and/or flexibility evaluation of every node (atom) on the network constituted by all the intra and inter-molecular inter-atomic interactions. Comparison of flexible or rigid molecular regions or domains within the complex with those in the respective isolated monomers leads to the index, quantifying the loss (or gain) in the number of degrees of freedom at complex formation. The index can also be applied to ranking decoys output by docking algorithms.

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M3 - Conference contribution

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T3 - IEEE International Conference on Neural Networks - Conference Proceedings

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BT - International Joint Conference on Neural Networks 2006, IJCNN '06

T2 - International Joint Conference on Neural Networks 2006, IJCNN '06

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ER -

A flexibility index for analysis of bio-molecular complexes

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