ArticleBioinformatics (Oxford, England)2011
A dynamic data structure for flexible molecular maintenance and informatics.
Article in Bioinformatics (Oxford, England), 2011. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 5 papers.
What it found
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The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.
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Who cites it
5 citing papers in PubMed.
- Viral Capsid Assembly: A Quantified Uncertainty Approach.Journal of computational biology : a journal of computational molecular cell biology · 2018Article
- Uncertainty Quantified Computational Analysis of the Energetics of Virus Capsid Assembly.Proceedings. IEEE International Conference on Bioinformatics and Biomedicine · 2016Article
- Efficient Maintenance and Update of Nonbonded Lists in Macromolecular Simulations.Journal of chemical theory and computation · 2014Article
- Protein-protein docking with F(2)Dock 2.0 and GB-rerank.PloS one · 2013Article
- A dynamic data structure for flexible molecular maintenance and informatics.Bioinformatics (Oxford, England) · 2011Article
Corrections and comments
PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.
Authors and funding
3 authors.
Funding
Abstract
motivationWe present the 'Dynamic Packing Grid' (DPG), a neighborhood data structure for maintaining and manipulating flexible molecules and assemblies, for efficient computation of binding affinities in drug design or in molecular dynamics calculations.
resultsDPG can efficiently maintain the molecular surface using only linear space and supports quasi-constant time insertion, deletion and movement (i.e. updates) of atoms or groups of atoms. DPG also supports constant time neighborhood queries from arbitrary points. Our results for maintenance of molecular surface and polarization energy computations using DPG exhibit marked improvement in time and space requirements. AVAILABILITY: http://www.cs.utexas.edu/~bajaj/cvc/software/DPG.shtml.
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Registered trials
Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.