Accelerating Virtual High-Throughput Ligand Docking: current technology and case study on a petascale supercomputer. - Wikidata - awgldk - TriplyDB

Accelerating Virtual High-Throughput Ligand Docking: current technology and case study on a petascale supercomputer.

Accelerating Virtual High-Throughput Ligand Docking: current technology and case study on a petascale supercomputer.

http://www.wikidata.org/entity/Q37692209

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Emerging Computational Methods for the Life Sciences Workshop 2012 1001 Ways to run AutoDock Vina for virtual screening Drug Metabolism in Preclinical Drug Development: A Survey of the Discovery Process, Toxicology, and Computational Tools.

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Accelerating Virtual High-Throughput Ligand Docking: current technology and case study on a petascale supercomputer.

http://www.wikidata.org/entity/Q37692209

description

article científic

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article scientifique

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articolo scientifico

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artigo científico

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bilimsel makale

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scientific article published on April 2014

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vedecký článok

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vetenskaplig artikel

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videnskabelig artikel

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vědecký článek

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name

Accelerating Virtual High-Thro ...... on a petascale supercomputer.

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Accelerating Virtual High-Thro ...... on a petascale supercomputer.

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Accelerating Virtual High-Thro ...... on a petascale supercomputer.

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Accelerating Virtual High-Thro ...... on a petascale supercomputer.

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prefLabel

Accelerating Virtual High-Thro ...... on a petascale supercomputer.

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Accelerating Virtual High-Thro ...... on a petascale supercomputer.

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Concurrency and Computation: Practice and Experience

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Accelerating Virtual High-Thro ...... on a petascale supercomputer.

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Jerome Baudry

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Milton Brown

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Sally R Ellingson

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Sivanesan Dakshanamurthy

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P2860

AutoDock Vina: Improving the speed and accuracy of docking with a new scoring function, efficient optimization, and multithreading

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Ensemble-based virtual screening reveals potential novel antiviral compounds for avian influenza neuraminidase.

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Virtual screening of chemical libraries.

Molecular dynamics simulations and drug discovery

Calculation of protein-ligand binding affinities.

Grid-enabled high-throughput in silico screening against influenza A neuraminidase.

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1268-1277

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scholarly article

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10.1002/CPE.3070

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6

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26

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2014-04-01T00:00:00Z

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3979631

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