Calculation of Force Field Grids for Molecular Docking Using Graphics Processing Unit [PDF]
Журнал Сибирского федерального университета: Серия Биология, 2014 The vast majority of problems faced by bioinformatics are very complex and time consuming. They require the use of modern high-performance computational systems and the development of algorithms for such system.
Mikhail A. Farkov
doaj
MATria: a unified centrality algorithm
BMC Bioinformatics, 2019 Background Computing centrality is a foundational concept in social networking that involves finding the most “central” or important nodes. In some biological networks defining importance is difficult, which then creates challenges in finding an ...
Trevor Cickovski +2 more
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Comparative assessment of crystallographic and cryo‐EM models in the Protein Data Bank
FEBS Open Bio, EarlyView.Raw data obtained by X‐ray crystallography or cryo‐EM result in experimental maps, ultimately fitted by atomic models. Although the physical principles are different, the final results can be viewed, compared, and evaluated in the same way. With cryogenic electron microscopy (cryo‐EM) on track to surpass X‐ray crystallography as the preferred method ...
Alexander Wlodawer +7 more
wiley +1 more source
Using fluorescence fluctuation spectroscopy to quantify molecular dynamics within cells
FEBS Open Bio, EarlyView.Microscopy techniques like fluorescence correlation spectroscopy (FCS) and number and brightness analysis (N&B) allow to quantify concentrations, diffusion rates, and oligomerization of fluorescently labeled molecules in the living cell. In this protocol the principles of how to set up these types of experiments are described including calibration ...
Mark A. Hink
wiley +1 more source
Implementation of a Fully-Parallel Turbo Decoder on a General-Purpose Graphics Processing Unit
IEEE Access, 2016 Turbo codes comprising a parallel concatenation of upper and lower convolutional codes are widely employed in the state-of-the-art wireless communication standards, since they facilitate transmission throughputs that closely approach the channel capacity.
An Li +3 more
doaj +1 more source
FEBS Open Bio, EarlyView.This minireview explores fluorination as a key strategy to optimize therapeutic molecules and nanocarriers. By incorporating different fluorinated motifs—from single atoms to linear and branched chains—drug delivery, cellular uptake, and colloidal stability can be improved and fine‐tuned.
Martina Beccalli +2 more
wiley +1 more source
Graphics-processing-unit-accelerated Monte Carlo simulation of polarized light in complex three-dimensional media. [PDF]
J Biomed Opt, 2022 Yan S +3 more
europepmc +1 more source
Neurovascular Contacts in the Pathophysiology of Neuralgic Amyotrophy: An Observational Study
Annals of Clinical and Translational Neurology, EarlyView.ABSTRACT Objective Neuralgic amyotrophy (NA) is a prevalent, monophasic, multifocal immune‐mediated neuropathy. A distinctive characteristic of the disease is the occurrence of nerve or fascicle constrictions and torsions (NA‐associated focal nerve lesions, NAFL). The pathophysiology underlying this phenomenon remains to be fully elucidated.
Johannes Fabian Holle +4 more
wiley +1 more source
Analysis of Fast Fourier Transformations algorithm for CUDA Architecture
Lietuvos Matematikos Rinkinys, 2012 In this work Fast Fourier transformation algorithm for general purpose graphics processing unit processing (GPGPU) is discussed. Algorithm structure and individual stages performance were analysed.
Beatričė Andziulienė +2 more
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gpuZoo: Cost-effective estimation of gene regulatory networks using the Graphics Processing Unit. [PDF]
NAR Genom Bioinform, 2022 Guebila MB +5 more
europepmc +1 more source