Results 51 to 60 of about 1,343,548 (292)

Molecular crystal global phase diagrams. II. Reference lattices [PDF]

, 2010
In the first part of this series [Keith et al. (2004). Cryst. Growth Des. 4, 1009-1012; Mettes et al. (2004). Acta Cryst. A60, 621-636], a method was developed for constructing global phase diagrams (GPDs) for molecular crystals in which crystal ...
Keith, J. Brandon, McClurg, Richard B.
core   +1 more source

Finite Element simulation of radiation losses in photonic crystal fibers

, 2007
In our work we focus on the accurate computation of light propagation in finite size photonic crystal structures with the finite element method (FEM).
Burger, Sven, Klose, Roland, Pomplun, Jan, Schmidt, Frank, Zschiedrich, Lin   +4 more
core   +1 more source

Multipole expansion for magnetic structures: A generation scheme for symmetry-adapted orthonormal basis set in crystallographic point group [PDF]

, 2019
We propose a systematic method to generate a complete orthonormal basis set of multipole expansion for magnetic structures in arbitrary crystal structure.
Arita, R., Hayami, S., Kusunose, H., Nomoto, T., Suzuki, M. -T., Yanagi, Y.   +5 more
core   +3 more sources

The planar cell polarity protein Vangl2 interacts with the PDZ‐domains of Scribble but not with a unique PDZ‐like domain in Inturned

FEBS Letters, EarlyView.
Structural and biochemical characterisations show that the planar cell polarity (PCP) protein Inturned harbours a unique PDZ‐like domain that does not bind canonical PDZ‐binding motifs (PBMs) like that of another PCP protein Vangl2. In contrast, the apical‐basal polarity protein Scribble contains four PDZ domains that bind Vangl2, but one PDZ domain ...
Stephan Wilmes, Jan Brysch, Carmen Gelze, Lilli Meier, Daniel Kümmel   +4 more
wiley   +1 more source

Solution Structures of \u3cem\u3eMycobacterium tuberculosis\u3c/em\u3e Thioredoxin C and Models of Intact Thioredoxin System Suggest New Approaches to Inhibitor and Drug Design [PDF]

, 2013
Here, we report the NMR solution structures of Mycobacterium tuberculosis (M. tuberculosis) thioredoxin C in both oxidized and reduced states, with discussion of structural changes that occur in going between redox states.
Cai, Sheng, Neumann, Terrence S., Olson, Andrew Lawrence, Sem, Daniel S.   +3 more
core   +1 more source

Calpain small subunit homodimerization is robust and calcium‐independent

FEBS Letters, EarlyView.
Calpains dimerize via penta‐EF‐hand (PEF) domains. Using single‐molecule force spectroscopy, we measured the strength and kinetics of PEF–PEF homodimer binding. The interaction is robust, shows a transient conformational step before dissociation, and remains largely insensitive to Ca2+.
Nesha May O. Andoy, Trina Dykstra‐MacPherson, Mathias A. Bell, Peter L. Davies, Ruby May A. Sullan   +4 more
wiley   +1 more source

The crystal structures of three pyrazine-2,5-dicarboxamides: three-dimensional supramolecular structures

Acta Crystallographica Section E: Crystallographic Communications, 2017
The complete molecules of the title compounds, N2,N5-bis(pyridin-2-ylmethyl)pyrazine-2,5-dicarboxamide, C18H16N6O2 (I), 3,6-dimethyl-N2,N5-bis(pyridin-2-ylmethyl)pyrazine-2,5-dicarboxamide, C20H20N6O2 (II), and N2,N5-bis(pyridin-4-ylmethyl)pyrazine-2,5 ...
Dilovan S. Cati, Helen Stoeckli-Evans
doaj   +1 more source

Computing Optical Properties of Ultra-thin Crystals [PDF]

, 2016
An overview is given of recent advances in experimental and theoretical understanding of optical properties of ultra-thin crystal structures (graphene, phosphorene, silicene, MoS2, MoSe2 , WS2 , WSe2 , h-AlN, h-BN, fluorographene, graphane).
Albrecht, Attaccalite, Barawi, Bechstedt, Bernardi, Cakir, Cakir, Cao, Ceperley, Chae, Cheiwchanchamnangij, Chen, Cheng, Cheng, Chernikov, Chien, Cudazzo, Debbichi, Despoja, Eda, Fang, Fano, Feng, Feng, Fuchs, Furchi, Gao, Geim, Giannozzi, Gokus, Gong, Gonze, Gourmelon, Gunasinghe, Gutiérrez, Havener, He, He, Heyd, Huang, Huo, Island, Jin, Jing, Jones, Joswig, Kadi, Kang, Karlický, Karlický, Komsa, Kresse, Kresse, Kresse, Kresse, Latini, Lee, Li, Lin, Luo, Mai, Mak, Mak, Mak, Mak, Mak, Marini, Matthes, Mitioglu, Mohan, Nair, Novoselov, Onida, Palummo, Pan, Perdew, Perdew, Pereira, Phillips, Prezzi, Pulci, Qiu, Ramasubramaniam, Rayson, Rivera, Rohlfing, Ross, Samarakoon, Sanchez, Sedelnikova, Seixas, Shang, Shi, Shih, Shishkin, Shishkin, Shishkin, Singh, Splendiani, Srivastava, Sun, Tongay, Tongay, Tongay, Tonndorf, Tran, Trevisanutto, Ugeda, Wachsmuth, Wang, Wang, Wang, Wei, Wei, Wie, Withers, Xia, Yamamoto, Yan, Yan, Yang, Yang, Yang, Yang, Yang, Ye, You, Yuan, Zeng, Zhou   +129 more
core   +2 more sources

Structural insights into an engineered feruloyl esterase with improved MHET degrading properties

FEBS Letters, EarlyView.
A feruloyl esterase was engineered to mimic key features of MHETase, enhancing the degradation of PET oligomers. Structural and computational analysis reveal how a point mutation stabilizes the active site and reshapes the binding cleft, expading substrate scope.
Panagiota Karampa, Konstantinos Makryniotis, Theofani‐Iosifina Sousani, Evangelos Topakas, Vangelis Daskalakis, Maria Dimarogona   +5 more
wiley   +1 more source

Crystal structures of two alanylpiperidine analogues

Acta Crystallographica Section E: Crystallographic Communications, 2021
The structure of ethyl 1-[N-(4-methylphenyl)-N-(methylsulfonyl)alanyl]piperidine-4-carboxylate, C19H28N2O5S, I, a compound of interest as activator of Ubiquitin C-terminal Hydrolase-L1 (UCH-L1), was determined by single-crystal X-ray diffraction (SCXRD ...
Kalina Mambourg, Nikolay Tumanov, Gilles Henon, Steve Lanners, Javier Garcia-Ladona, Johan Wouters   +5 more
doaj   +1 more source