FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W3103608420> ?p ?o ?g. }

• W3103608420 abstract "Protein-ligand docking is an in silico tool used to screen potential drug compounds for their ability to bind to a given protein receptor within a drug-discovery campaign. Experimental drug screening is expensive and time consuming, and it is desirable to carry out large scale docking calculations in a high-throughput manner to narrow the experimental search space. Few of the existing computational docking tools were designed with high performance computing in mind. Therefore, optimizations to maximize use of high-performance computational resources available at leadership-class computing facilities enables these facilities to be leveraged for drug discovery. Here we present the porting, optimization, and validation of the AutoDock-GPU program for the Summit supercomputer, and its application to initial compound screening efforts to target proteins of the SARS-CoV-2 virus responsible for the current COVID-19 pandemic." @default.
• W3103608420 created "2020-11-23" @default.
• W3103608420 creator A5003788134 @default.
• W3103608420 creator A5004983255 @default.
• W3103608420 creator A5011336390 @default.
• W3103608420 creator A5023716632 @default.
• W3103608420 creator A5037721262 @default.
• W3103608420 creator A5037906784 @default.
• W3103608420 creator A5043900157 @default.
• W3103608420 creator A5047000315 @default.
• W3103608420 creator A5058217183 @default.
• W3103608420 creator A5060608335 @default.
• W3103608420 creator A5063252571 @default.
• W3103608420 creator A5068831347 @default.
• W3103608420 creator A5068867875 @default.
• W3103608420 creator A5071822072 @default.
• W3103608420 creator A5072196443 @default.
• W3103608420 date "2020-07-06" @default.
• W3103608420 modified "2023-10-16" @default.
• W3103608420 title "GPU-Accelerated Drug Discovery with Docking on the Summit Supercomputer: Porting, Optimization, and Application to COVID-19 Research." @default.
• W3103608420 cites W1757990252 @default.
• W3103608420 cites W1800166884 @default.
• W3103608420 cites W1970102912 @default.
• W3103608420 cites W1970658820 @default.
• W3103608420 cites W1984222112 @default.
• W3103608420 cites W1998056319 @default.
• W3103608420 cites W1998263233 @default.
• W3103608420 cites W2029667189 @default.
• W3103608420 cites W2075824405 @default.
• W3103608420 cites W2105668062 @default.
• W3103608420 cites W2121621209 @default.
• W3103608420 cites W2130479394 @default.
• W3103608420 cites W2132629607 @default.
• W3103608420 cites W2134967712 @default.
• W3103608420 cites W2158534713 @default.
• W3103608420 cites W2169244518 @default.
• W3103608420 cites W2169678694 @default.
• W3103608420 cites W2200017991 @default.
• W3103608420 cites W2336040088 @default.
• W3103608420 cites W2399965873 @default.
• W3103608420 cites W2464107291 @default.
• W3103608420 cites W2578119541 @default.
• W3103608420 cites W2613685575 @default.
• W3103608420 cites W2924519734 @default.
• W3103608420 cites W2983577496 @default.
• W3103608420 cites W3010016408 @default.
• W3103608420 cites W3015608194 @default.
• W3103608420 cites W3024380556 @default.
• W3103608420 cites W3194366178 @default.
• W3103608420 hasPubMedCentralId "https://www.ncbi.nlm.nih.gov/pmc/articles/7359529" @default.
• W3103608420 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/32676519" @default.
• W3103608420 hasPublicationYear "2020" @default.
• W3103608420 type Work @default.
• W3103608420 sameAs 3103608420 @default.
• W3103608420 citedByCount "1" @default.
• W3103608420 countsByYear W31036084202021 @default.
• W3103608420 crossrefType "posted-content" @default.
• W3103608420 hasAuthorship W3103608420A5003788134 @default.
• W3103608420 hasAuthorship W3103608420A5004983255 @default.
• W3103608420 hasAuthorship W3103608420A5011336390 @default.
• W3103608420 hasAuthorship W3103608420A5023716632 @default.
• W3103608420 hasAuthorship W3103608420A5037721262 @default.
• W3103608420 hasAuthorship W3103608420A5037906784 @default.
• W3103608420 hasAuthorship W3103608420A5043900157 @default.
• W3103608420 hasAuthorship W3103608420A5047000315 @default.
• W3103608420 hasAuthorship W3103608420A5058217183 @default.
• W3103608420 hasAuthorship W3103608420A5060608335 @default.
• W3103608420 hasAuthorship W3103608420A5063252571 @default.
• W3103608420 hasAuthorship W3103608420A5068831347 @default.
• W3103608420 hasAuthorship W3103608420A5068867875 @default.
• W3103608420 hasAuthorship W3103608420A5071822072 @default.
• W3103608420 hasAuthorship W3103608420A5072196443 @default.
• W3103608420 hasConcept C100970517 @default.
• W3103608420 hasConcept C104317684 @default.
• W3103608420 hasConcept C106251023 @default.
• W3103608420 hasConcept C10679952 @default.
• W3103608420 hasConcept C111919701 @default.
• W3103608420 hasConcept C159110408 @default.
• W3103608420 hasConcept C185592680 @default.
• W3103608420 hasConcept C205649164 @default.
• W3103608420 hasConcept C2775905019 @default.
• W3103608420 hasConcept C2777904410 @default.
• W3103608420 hasConcept C2778848561 @default.
• W3103608420 hasConcept C2780152424 @default.
• W3103608420 hasConcept C41008148 @default.
• W3103608420 hasConcept C41685203 @default.
• W3103608420 hasConcept C459310 @default.
• W3103608420 hasConcept C55493867 @default.
• W3103608420 hasConcept C60644358 @default.
• W3103608420 hasConcept C71924100 @default.
• W3103608420 hasConcept C74187038 @default.
• W3103608420 hasConcept C83283714 @default.
• W3103608420 hasConcept C86803240 @default.
• W3103608420 hasConceptScore W3103608420C100970517 @default.
• W3103608420 hasConceptScore W3103608420C104317684 @default.
• W3103608420 hasConceptScore W3103608420C106251023 @default.
• W3103608420 hasConceptScore W3103608420C10679952 @default.
• W3103608420 hasConceptScore W3103608420C111919701 @default.
• W3103608420 hasConceptScore W3103608420C159110408 @default.
• W3103608420 hasConceptScore W3103608420C185592680 @default.

• next