Cargando…

Fast Docking on Graphics Processing Units via Ray-Casting

Docking Approach using Ray Casting (DARC) is structure-based computational method for carrying out virtual screening by docking small-molecules into protein surface pockets. In a complementary study we find that DARC can be used to identify known inhibitors from large sets of decoy compounds, and ca...

Descripción completa

Detalles Bibliográficos
Autores principales:	Khar, Karen R., Goldschmidt, Lukasz, Karanicolas, John
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	Public Library of Science 2013
Materias:	Research Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3745428/ https://www.ncbi.nlm.nih.gov/pubmed/23976948 http://dx.doi.org/10.1371/journal.pone.0070661

Ejemplares similares

Accelerating Dock6’s Amber Scoring with Graphic Processing Unit
por: Yang, Hailong, et al.
Publicado: (2010)

GPUmotif: An Ultra-Fast and Energy-Efficient Motif Analysis Program Using Graphics Processing Units
por: Zandevakili, Pooya, et al.
Publicado: (2012)

MGUPGMA: A Fast UPGMA Algorithm With Multiple Graphics Processing Units Using NCCL
por: Hua, Guan-Jie, et al.
Publicado: (2017)

Fully Flexible Docking of Medium Sized Ligand Libraries with RosettaLigand
por: DeLuca, Samuel, et al.
Publicado: (2015)

BarraCUDA - a fast short read sequence aligner using graphics processing units
por: Klus, Petr, et al.
Publicado: (2012)

Graphics Processing Units for HEP trigger systems
por: Ammendola, R, et al.
Publicado: (2016)

Removing duplicate reads using graphics processing units
por: Manconi, Andrea, et al.
Publicado: (2016)

DARC 2.0: Improved Docking and Virtual Screening at Protein Interaction Sites
por: Gowthaman, Ragul, et al.
Publicado: (2015)

Acceleration of cardiac tissue simulation with graphic processing units
por: Sato, Daisuke, et al.
Publicado: (2009)

The X-ray Telescope of CAST
por: Kuster, M., et al.
Publicado: (2007)

Ultra-Fast Displaying Spectral Domain Optical Doppler Tomography System Using a Graphics Processing Unit
por: Jeong, Hyosang, et al.
Publicado: (2012)

DDT - Drug Discovery Tool: a fast and intuitive graphics user interface for docking and molecular dynamics analysis
por: Aureli, Simone, et al.
Publicado: (2019)

Accelerating compartmental modeling on a graphical processing unit
por: Ben-Shalom, Roy, et al.
Publicado: (2013)

Graphics processing unit accelerated non-uniform fast Fourier transform for ultrahigh-speed, real-time Fourier-domain OCT
por: Zhang, Kang, et al.
Publicado: (2010)

The X-ray Telescope of the CAST Experiment
por: Kotthaus, Rainer, et al.
Publicado: (2005)

Fast algorithms for 3D-graphics /
por: Glaeser, Georg
Publicado: (1994)

Acceleration of Early-Photon Fluorescence Molecular Tomography with Graphics Processing Units
por: Wang, Xin, et al.
Publicado: (2013)

Accelerating the Gillespie τ-Leaping Method Using Graphics Processing Units
por: Komarov, Ivan, et al.
Publicado: (2012)

Evaluation of likelihood functions for data analysis on Graphics Processing Units
por: Jarp, Sverre, et al.
Publicado: (2010)

High-throughput sequence alignment using Graphics Processing Units
por: Schatz, Michael C, et al.
Publicado: (2007)

Graphics processing units in bioinformatics, computational biology and systems biology
por: Nobile, Marco S, et al.
Publicado: (2017)

Accelerating Wright–Fisher Forward Simulations on the Graphics Processing Unit
por: Lawrie, David S.
Publicado: (2017)

Torch-eCpG: A fast and scalable eQTM mapper for thousands of molecular phenotypes with graphical processing units
por: Kober, Kord M., et al.
Publicado: (2023)

A tool for mapping Single Nucleotide Polymorphisms using Graphics Processing Units
por: Manconi, Andrea, et al.
Publicado: (2014)

Embedded-Based Graphics Processing Unit Cluster Platform for Multiple Sequence Alignments
por: Wei, Jyh-Da, et al.
Publicado: (2017)

Fast Bayesian inference in large Gaussian graphical models
por: Leday, Gwenaël G. R., et al.
Publicado: (2019)

Graphics processing unit-based high performance computing in radiation therapy
por: Jia, Xun, et al.
Publicado: (2015)

Accelerating large-scale protein structure alignments with graphics processing units
por: Pang, Bin, et al.
Publicado: (2012)

Estimating numerical error in neural network simulations on Graphics Processing Units
por: Turner, James P, et al.
Publicado: (2015)

On the Efficient Evaluation of the Exchange Correlation Potential on Graphics Processing Unit Clusters
por: Williams-Young, David B., et al.
Publicado: (2020)

dadi.CUDA: Accelerating Population Genetics Inference with Graphics Processing Units
por: Gutenkunst, Ryan N
Publicado: (2021)

The new micromegas X-ray detectors in CAST
por: Tomas, A, et al.
Publicado: (2011)

Extremely fast and accurate open modification spectral library searching of high-resolution mass spectra using feature hashing and graphics processing units
por: Bittremieux, Wout, et al.
Publicado: (2019)

High-Performance Image Acquisition and Processing for Stereoscopic Diagnostic Systems with the Application of Graphical Processing Units
por: Perek, Piotr, et al.
Publicado: (2022)

permGPU: Using graphics processing units in RNA microarray association studies
por: Shterev, Ivo D, et al.
Publicado: (2010)

The feasibility of genome-scale biological network inference using Graphics Processing Units
por: Thiagarajan, Raghuram, et al.
Publicado: (2017)

Are Gaming-Enabled Graphic Processing Unit Cards Convenient for Molecular Dynamics Simulation?
por: Biagini, Tommaso, et al.
Publicado: (2019)

Real-Time Simulation of a Cerebellar Scaffold Model on Graphics Processing Units
por: Kuriyama, Rin, et al.
Publicado: (2021)

HexServer: an FFT-based protein docking server powered by graphics processors
por: Macindoe, Gary, et al.
Publicado: (2010)

Evaluation of Computational Docking to Identify Pregnane X Receptor Agonists in the ToxCast Database
por: Kortagere, Sandhya, et al.
Publicado: (2010)

Cannot write session to /tmp/vufind_sessions/sess_ekjbd25guq8ir8k863mkb0eu1d