DynaMut: predicting the impact of mutations on protein conformation, flexibility and stability
Nucleic Acids Res., 2018 Proteins are highly dynamic molecules, whose function is intrinsically linked to their molecular motions. Despite the pivotal role of protein dynamics, their computational simulation cost has led to most structure-based approaches for assessing the ...
Carlos H. M. Rodrigues +2 more
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Shipin gongye ke-ji, 2022 In recent years, with the enthusiasm of research on "plant-based" food, the research on soy-based fermented yoghurt is gradually favored by people.
Bingyu SUN +6 more
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Principal component analysis of linear measures of young horses national champions of Mangalarga Marchador breed [PDF]
Ciência Rural, 2020 : The conformation is directly related to the quality of the movements, and can direct the selection by equine aptitude. This study aimed to identify which are the morphometric measurements that explain the total variance available in the marcha batida ...
Mariana de Castro Sellani +6 more
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Retinal location and structure in squid rhodopsin [PDF]
, 2021 In order to understand retinal we calculated the dihedral angles around carbon axis IOC-12C, since two different carbon sequences 9C-10C-11C-12C and 10C-11C-12C-13C exist. We also calculated the distances between two specified carbon pairs. Those results
Kito, Masashi +2 more
core
Engineering of Cyclodextrin Product Specificity and pH Optima of the Thermostable Cyclodextrin Glycosyltransferase from Thermoanaerobacterium thermosulfurigenes EM1 [PDF]
, 1998 The product specificity and pH optimum of the thermostable cyclodextrin glycosyltransferase (CGTase) from Thermoanaerobacterium thermosulfurigenes EM1 was engineered using a combination of x-ray crystallography and site-directed mutagenesis.
Bauke W. Dijkstra +44 more
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Lead identification and structure-activity relationships of heteroarylpyrazole arylsulfonamides as allosteric CC-chemokine receptor 4 (CCR4) antagonists [PDF]
, 2014 A knowledge-based library of aryl 2,3-dichlorophenylsulfonamides was synthesised and screened as human CCR4 antagonists, in order to identify a suitable hit for the start of a lead-optimisation programme.
Copley, R.C.B. +4 more
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Indagationes Mathematicae (Proceedings), 1951 If one keeps angle but drops an invariant (four-dimensional) length from an essentially Einstenian description of the world, one gets Conformal Relativity. (The invariance of angle is all that is required by the «invariance of the light cone» for physically equivalent observers). The Special Theory of Conformal Relativity studies the conformal geometry,
openaire +4 more sources
A new monoclinic polymorph of 1,1′-bis(diphenylthiophosphoryl)ferrocene
Acta Crystallographica Section E: Crystallographic Communications, 2015 The title compound, [Fe(C17H14PS)2], is a second monoclinic polymorph (P21/c, with Z′ = 1) of the previously reported monoclinic (C2/c, with Z′ = 1/2) form [Fang et al. (1995). Polyhedron, 14, 2403–2409]. In the new form, the S atoms lie to the same side
Yee Seng Tan +2 more
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(1R,3aR,5aS,6S,8aR,8bR,9aS)-1-Hydroxy-6-isopropyl-1,3a,5a-trimethylperhydrocyclopenta[a]cyclopropa[i]naphthalen-4-one [PDF]
, 2010 The title compound (also know as azorellanone), C20H32O2, is built up from three fused carbocycles, one five-membered ring and two six-membered rings. The five membered-ring has an envelope conformation, whereas the six-membered rings have a distorted ...
Brito, Iván +4 more
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MCC950 closes the active conformation of NLRP3 to an inactive state
Nature Chemical Biology, 2019 NLRP3 (NOD-like receptor pyrin domain-containing protein 3) is an innate immune sensor that contributes to the development of different diseases, including monogenic autoinflammatory syndromes, gout, atherosclerosis, and Alzheimer’s disease. The molecule
Ana Tapia-Abellán +7 more
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