Matches in SemOpenAlex for { <https://semopenalex.org/work/W2079804724> ?p ?o ?g. }
- W2079804724 endingPage "2896" @default.
- W2079804724 startingPage "2882" @default.
- W2079804724 abstract "Our main objective was to compile a data set of high-quality protein-fragment complexes and make it publicly available. Once assembled, the data set was challenged using docking procedures to address the following questions: (i) Can molecular docking correctly reproduce the experimentally solved structures? (ii) How thorough must the sampling be to replicate the experimental data? (iii) Can commonly used scoring functions discriminate between the native pose and other energy minima? The data set, named SERAPhiC (Selected Fragment Protein Complexes), is publicly available in a ready-to-dock format ( http://www.iit.it/en/drug-discovery-and-development/seraphic.html ). It offers computational medicinal chemists a reliable test set for both in silico protocol assessment and software development." @default.
- W2079804724 created "2016-06-24" @default.
- W2079804724 creator A5021953983 @default.
- W2079804724 creator A5032936205 @default.
- W2079804724 creator A5054421536 @default.
- W2079804724 creator A5076090370 @default.
- W2079804724 creator A5081026362 @default.
- W2079804724 date "2011-10-12" @default.
- W2079804724 modified "2023-10-03" @default.
- W2079804724 title "SERAPhiC: A Benchmark for in Silico Fragment-Based Drug Design" @default.
- W2079804724 cites W1574656685 @default.
- W2079804724 cites W1966496513 @default.
- W2079804724 cites W1972091733 @default.
- W2079804724 cites W1972954383 @default.
- W2079804724 cites W1977909079 @default.
- W2079804724 cites W1983194490 @default.
- W2079804724 cites W1986568494 @default.
- W2079804724 cites W1989773022 @default.
- W2079804724 cites W1992947643 @default.
- W2079804724 cites W1993046136 @default.
- W2079804724 cites W1993828173 @default.
- W2079804724 cites W1994909262 @default.
- W2079804724 cites W1994923840 @default.
- W2079804724 cites W1995186828 @default.
- W2079804724 cites W1995808589 @default.
- W2079804724 cites W1997305733 @default.
- W2079804724 cites W1997492224 @default.
- W2079804724 cites W2008525757 @default.
- W2079804724 cites W2012520981 @default.
- W2079804724 cites W2012969029 @default.
- W2079804724 cites W2019610534 @default.
- W2079804724 cites W2024752922 @default.
- W2079804724 cites W2027638447 @default.
- W2079804724 cites W2030398297 @default.
- W2079804724 cites W2036620149 @default.
- W2079804724 cites W2040225778 @default.
- W2079804724 cites W2047710091 @default.
- W2079804724 cites W2050273205 @default.
- W2079804724 cites W2050456292 @default.
- W2079804724 cites W2058433776 @default.
- W2079804724 cites W2058770899 @default.
- W2079804724 cites W2060039822 @default.
- W2079804724 cites W2061750520 @default.
- W2079804724 cites W2062081085 @default.
- W2079804724 cites W2066143642 @default.
- W2079804724 cites W2072544747 @default.
- W2079804724 cites W2076419401 @default.
- W2079804724 cites W2092285329 @default.
- W2079804724 cites W2094189642 @default.
- W2079804724 cites W2100983650 @default.
- W2079804724 cites W2102384571 @default.
- W2079804724 cites W2114167590 @default.
- W2079804724 cites W2117998993 @default.
- W2079804724 cites W2124809796 @default.
- W2079804724 cites W2127760066 @default.
- W2079804724 cites W2131639373 @default.
- W2079804724 cites W2134503191 @default.
- W2079804724 cites W2137052779 @default.
- W2079804724 cites W2143482176 @default.
- W2079804724 cites W2147421370 @default.
- W2079804724 cites W2155384593 @default.
- W2079804724 cites W2162220273 @default.
- W2079804724 cites W2167555836 @default.
- W2079804724 cites W2168045053 @default.
- W2079804724 cites W2171242938 @default.
- W2079804724 cites W2171437346 @default.
- W2079804724 cites W4243460074 @default.
- W2079804724 doi "https://doi.org/10.1021/ci2003363" @default.
- W2079804724 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/21936510" @default.
- W2079804724 hasPublicationYear "2011" @default.
- W2079804724 type Work @default.
- W2079804724 sameAs 2079804724 @default.
- W2079804724 citedByCount "19" @default.
- W2079804724 countsByYear W20798047242012 @default.
- W2079804724 countsByYear W20798047242013 @default.
- W2079804724 countsByYear W20798047242014 @default.
- W2079804724 countsByYear W20798047242015 @default.
- W2079804724 countsByYear W20798047242016 @default.
- W2079804724 countsByYear W20798047242017 @default.
- W2079804724 countsByYear W20798047242018 @default.
- W2079804724 countsByYear W20798047242019 @default.
- W2079804724 countsByYear W20798047242020 @default.
- W2079804724 countsByYear W20798047242022 @default.
- W2079804724 countsByYear W20798047242023 @default.
- W2079804724 crossrefType "journal-article" @default.
- W2079804724 hasAuthorship W2079804724A5021953983 @default.
- W2079804724 hasAuthorship W2079804724A5032936205 @default.
- W2079804724 hasAuthorship W2079804724A5054421536 @default.
- W2079804724 hasAuthorship W2079804724A5076090370 @default.
- W2079804724 hasAuthorship W2079804724A5081026362 @default.
- W2079804724 hasConcept C104317684 @default.
- W2079804724 hasConcept C105795698 @default.
- W2079804724 hasConcept C124101348 @default.
- W2079804724 hasConcept C13280743 @default.
- W2079804724 hasConcept C154945302 @default.
- W2079804724 hasConcept C159110408 @default.
- W2079804724 hasConcept C169903167 @default.
- W2079804724 hasConcept C177264268 @default.