research-article

Path-planning algorithm for transportation of molecules through protein tunnel bottlenecks

Authors:

Ivana Kolingerová,

Barbora Kozlíková,

Jiří SochorAuthors Info & Claims

SCCG '15: Proceedings of the 31st Spring Conference on Computer Graphics

Pages 81 - 88

https://doi.org/10.1145/2788539.2788550

Published: 22 April 2015 Publication History

Abstract

We present a simple and fast path planning algorithm for transportation of a set of tightly connected sphere objects (a small molecule) through a narrow gap. In our approach we are using common sampling-based path planning, however, instead of sampling the entire configuration space, we estimate which subsets of this space must be crossed on the desired path. In comparison with other methods using minimal bounding volumes, we improve the algorithm accuracy for arbitrary shaped molecules and significantly reduce the number of generated samples as well as time cost of path planning. We have accomplished a number of tests on scenes formed by proteins and ligand molecules. The results suggest that the proposed method works well in practice and the number of generated samples is substantially lower then the proved upper bound.

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Cited By

Dahalan ASaudi ASulaiman J(2022)Pathfinding for Mobile Robot Navigation by Exerting the Quarter-Sweep Modified Accelerated Overrelaxation (QSMAOR) Iterative Approach via the Laplacian OperatorModelling and Simulation in Engineering10.1155/2022/93881462022(1-14)Online publication date: 12-Mar-2022
https://doi.org/10.1155/2022/9388146

Index Terms

Path-planning algorithm for transportation of molecules through protein tunnel bottlenecks

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cover image ACM Other conferences

SCCG '15: Proceedings of the 31st Spring Conference on Computer Graphics

April 2015

152 pages

ISBN:9781450336932

DOI:10.1145/2788539

Conference Chair:
Joaquim Jorge
Universidade de Lisboa, Portugal
,
Program Chairs:
Luís Paulo Santos
Universidade do Minho, Portugal
,
Roman Ďurikovič
Comenius University, Slovakia

Copyright © 2015 ACM.

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SIGGRAPH: ACM Special Interest Group on Computer Graphics and Interactive Techniques

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Association for Computing Machinery

New York, NY, United States

Publication History

Published: 22 April 2015

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SCCG'15

SCCG'15: Spring Conference on Computer Graphics

April 22 - 24, 2015

Smolenice, Slovakia

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Overall Acceptance Rate 67 of 115 submissions, 58%

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Cited By

Dahalan ASaudi ASulaiman J(2022)Pathfinding for Mobile Robot Navigation by Exerting the Quarter-Sweep Modified Accelerated Overrelaxation (QSMAOR) Iterative Approach via the Laplacian OperatorModelling and Simulation in Engineering10.1155/2022/93881462022(1-14)Online publication date: 12-Mar-2022
https://doi.org/10.1155/2022/9388146

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