FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W2945868029> ?p ?o ?g. }

• W2945868029 startingPage "650440" @default.
• W2945868029 abstract "Abstract Small molecules such as substrates, effectors and drugs play essential roles in biological processes. Knowing their interactions with biomacromolecular targets demands a deep understanding of binding and unbinding mechanisms. Dozens of papers have suggested that discovering of either binding or unbinding events by means of conventional UMD simulation urges a considerable amount of computational resources, therefore, only one who holds a supercomputer can afford such extensive simulations. Capabilities of full atomistic Unbiased Molecular Dynamics (UMD) simulation have been undervalued within the scientific community. Thus, myriads of researchers are impelled to be content with debatable biased MD simulations which seek validation for its preconceived framework. In this work, we present a stratagem to empower everyone to perform UMD simulations of protein-ligand binding and unbinding by typical desktop computers and achieve valuable and high-cost results in nanosecond time scale. Here, we have described kinetics of binding and unbinding of anticancer drug, dasatinib, to c-Src kinase in full atomistic details for the first time. We have attained multiple independent binding and unbinding events occurred in the nano-second timescale, even in times as little as 30 and 392.6 ns respectively, without presence of any biasing forces, an achievement that nobody has ever assumed to be possible." @default.
• W2945868029 created "2019-05-29" @default.
• W2945868029 creator A5023630326 @default.
• W2945868029 creator A5047792611 @default.
• W2945868029 creator A5048237602 @default.
• W2945868029 creator A5085480860 @default.
• W2945868029 date "2019-05-27" @default.
• W2945868029 modified "2023-09-24" @default.
• W2945868029 title "Ultraefficient Unbiased Molecular Dynamics simulation of protein-ligand interactions: How profound yet affordable can it be?" @default.
• W2945868029 cites W1031578623 @default.
• W2945868029 cites W1881469793 @default.
• W2945868029 cites W1976499671 @default.
• W2945868029 cites W1978607920 @default.
• W2945868029 cites W1989814214 @default.
• W2945868029 cites W1990524359 @default.
• W2945868029 cites W2001357862 @default.
• W2945868029 cites W2001996470 @default.
• W2945868029 cites W2011301426 @default.
• W2945868029 cites W2012349173 @default.
• W2945868029 cites W2021019774 @default.
• W2945868029 cites W2026623751 @default.
• W2945868029 cites W2029667189 @default.
• W2945868029 cites W2031314768 @default.
• W2945868029 cites W2042160897 @default.
• W2945868029 cites W2043224156 @default.
• W2945868029 cites W2044172327 @default.
• W2945868029 cites W2045683699 @default.
• W2945868029 cites W2048633418 @default.
• W2945868029 cites W2049617698 @default.
• W2945868029 cites W2051613968 @default.
• W2945868029 cites W2054466658 @default.
• W2945868029 cites W2054881399 @default.
• W2945868029 cites W2057477511 @default.
• W2945868029 cites W2066225075 @default.
• W2945868029 cites W2079620307 @default.
• W2945868029 cites W2081693079 @default.
• W2945868029 cites W2128572087 @default.
• W2945868029 cites W2132629607 @default.
• W2945868029 cites W2133620840 @default.
• W2945868029 cites W2280969907 @default.
• W2945868029 cites W2289177473 @default.
• W2945868029 cites W2401930083 @default.
• W2945868029 cites W2414725821 @default.
• W2945868029 cites W2535112051 @default.
• W2945868029 cites W2558999090 @default.
• W2945868029 cites W2593262867 @default.
• W2945868029 cites W2598374175 @default.
• W2945868029 cites W2620254666 @default.
• W2945868029 cites W2898119186 @default.
• W2945868029 cites W2898514187 @default.
• W2945868029 cites W2951427626 @default.
• W2945868029 hasPublicationYear "2019" @default.
• W2945868029 type Work @default.
• W2945868029 sameAs 2945868029 @default.
• W2945868029 citedByCount "0" @default.
• W2945868029 crossrefType "posted-content" @default.
• W2945868029 hasAuthorship W2945868029A5023630326 @default.
• W2945868029 hasAuthorship W2945868029A5047792611 @default.
• W2945868029 hasAuthorship W2945868029A5048237602 @default.
• W2945868029 hasAuthorship W2945868029A5085480860 @default.
• W2945868029 hasBestOaLocation W29458680291 @default.
• W2945868029 hasConcept C116569031 @default.
• W2945868029 hasConcept C12554922 @default.
• W2945868029 hasConcept C147597530 @default.
• W2945868029 hasConcept C170493617 @default.
• W2945868029 hasConcept C171250308 @default.
• W2945868029 hasConcept C185592680 @default.
• W2945868029 hasConcept C192562407 @default.
• W2945868029 hasConcept C2779536868 @default.
• W2945868029 hasConcept C41008148 @default.
• W2945868029 hasConcept C42362537 @default.
• W2945868029 hasConcept C51785407 @default.
• W2945868029 hasConcept C55493867 @default.
• W2945868029 hasConcept C59593255 @default.
• W2945868029 hasConcept C62478195 @default.
• W2945868029 hasConcept C70721500 @default.
• W2945868029 hasConcept C86803240 @default.
• W2945868029 hasConceptScore W2945868029C116569031 @default.
• W2945868029 hasConceptScore W2945868029C12554922 @default.
• W2945868029 hasConceptScore W2945868029C147597530 @default.
• W2945868029 hasConceptScore W2945868029C170493617 @default.
• W2945868029 hasConceptScore W2945868029C171250308 @default.
• W2945868029 hasConceptScore W2945868029C185592680 @default.
• W2945868029 hasConceptScore W2945868029C192562407 @default.
• W2945868029 hasConceptScore W2945868029C2779536868 @default.
• W2945868029 hasConceptScore W2945868029C41008148 @default.
• W2945868029 hasConceptScore W2945868029C42362537 @default.
• W2945868029 hasConceptScore W2945868029C51785407 @default.
• W2945868029 hasConceptScore W2945868029C55493867 @default.
• W2945868029 hasConceptScore W2945868029C59593255 @default.
• W2945868029 hasConceptScore W2945868029C62478195 @default.
• W2945868029 hasConceptScore W2945868029C70721500 @default.
• W2945868029 hasConceptScore W2945868029C86803240 @default.
• W2945868029 hasLocation W29458680291 @default.
• W2945868029 hasOpenAccess W2945868029 @default.
• W2945868029 hasPrimaryLocation W29458680291 @default.
• W2945868029 hasRelatedWork W1866462462 @default.
• W2945868029 hasRelatedWork W1983061023 @default.
• W2945868029 hasRelatedWork W2017234341 @default.

• next