ParKVFinder: A thread-level parallel approach in biomolecular cavity detection

ParKVFinder: A thread-level parallel approach in biomolecular cavity detection

Biological processes are regulated mainly by the binding of small molecules into cavities distributed throughout the biomolecular structure. Computational tools to detect these cavities have an essential role in rational drug design. With the exponential availability of high-order 3D atomic structur...

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Bibliographic Details
Main Authors: João Victor da Silva Guerra, Helder Veras Ribeiro Filho, Leandro Oliveira Bortot, Rodrigo Vargas Honorato, José Geraldo de Carvalho Pereira, Paulo Sérgio Lopes-de-Oliveira
Format: Article
Language:English
Published: Elsevier 2020-07-01
Series:SoftwareX
Subjects:
Cavity detection
Parallelization
Space segmentation
Spatial characterization
OpenMP
Online Access:http://www.sciencedirect.com/science/article/pii/S2352711020303198

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http://www.sciencedirect.com/science/article/pii/S2352711020303198

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