2012
DOI: 10.1007/s00044-012-0367-5
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Challenges in docking 2′-hydroxy and 2′,4′-dihydroxychalcones into the binding site of ALR2

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Cited by 5 publications
(1 citation statement)
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“…Several studies have underlined the importance of DPI in the evaluation of the quality of PDB structures supplied to computational approaches, 5,[16][17][18][19][20][21] but DPI continues to be scarcely employed, due to unclear data extraction protocols (to assign variables), complex equations, lack of extensive applicability studies, and limited access to automated computations. To date, we identified only the free online resources offered by K. Sekar's laboratory facilitating the computation of Cruickshank DPI.…”
Section: Introductionmentioning
confidence: 99%
“…Several studies have underlined the importance of DPI in the evaluation of the quality of PDB structures supplied to computational approaches, 5,[16][17][18][19][20][21] but DPI continues to be scarcely employed, due to unclear data extraction protocols (to assign variables), complex equations, lack of extensive applicability studies, and limited access to automated computations. To date, we identified only the free online resources offered by K. Sekar's laboratory facilitating the computation of Cruickshank DPI.…”
Section: Introductionmentioning
confidence: 99%