Results 71 to 80 of about 83,637 (272)

Predicting Atomic Charges in MOFs by Topological Charge Equilibration

Advanced Functional Materials, EarlyView.
An atomic charge prediction method is presented that is able to accurately reproduce ab‐initio‐derived reference charges for a large number of metal–organic frameworks. Based on a topological charge equilibration scheme, static charges that fulfill overall neutrality are quickly generated.
Babak Farhadi Jahromi, Sumukh Shankar Sharadaprasad, Rochus Schmid   +2 more
wiley   +1 more source

Molecular mechanisms underlying catalytic activity of delta 6 desaturase from Glossomastix chrysoplasta and Thalassiosira pseudonana[S]

Journal of Lipid Research, 2018
Delta 6 desaturase (FADS2) is a critical bifunctional enzyme required for PUFA biosynthesis. In some organisms, FADS2s have high substrate specificity, whereas in others, they have high catalytic activity. Previously, we analyzed the molecular mechanisms
Haisu Shi, 史海 粟, Rina Wu, 乌日 娜, Yan Zheng, 郑 艳, Xiqing Yue, 岳喜 庆   +7 more
doaj   +1 more source

Swapping trajectories: a new wall-induced cross-streamline particle migration mechanism in a dilute suspension of spheres

, 2007
Binary encounters between spherical particles in shear flow are studied for a system bounded by a single planar wall or two parallel planar walls under creeping flow conditions. We show that wall proximity gives rise to a new class of binary trajectories
E. WAJNRYB, J. BŁAWZDZIEWICZ, Lorentz, M. ZURITA-GOTOR, Press, Zinchenko, Zurita-Gotor   +6 more
core   +1 more source

Wrapping the alpha-crystallin domain fold in a chaperone assembly [PDF]

, 2005
Small heat shock proteins (sHsps) are oligomers that perform a protective function by binding denatured proteins. Although ubiquitous, they are of variable sequence except for a C-terminal similar to 90-residue "alpha-crystallin domain".
Basha, Basha, Benitez, Benndorf, Bova, Brunger, Bullard, Cashikar, Chen, Christine Slingsby, De Jong, De La Fortelle, Ding, Doublié, Eddy, Ehrnsperger, Evans, French, Fu, Giese, Guido Kappé, Haslbeck, Haslbeck, Head, Heger, Horwitz, Hsu, Irobi, Kappe, Kappé, Kim, Kim, Laskowski, Lee, Leslie, Lindner, MacRae, Mao, McManus, McRee, Merckelbach, Mogk, Mounier, Nene, Orengo, Perng, Rekas, Robin Stamler, Schneider, Sobott, Stromer, Studer, Theriault, Valdez, Van Montfort, van Montfort, Wilbert Boelens, Zourlidou   +57 more
core   +1 more source

Imaging of Biphoton States: Fundamentals and Applications

Advanced Functional Materials, EarlyView.
Quantum states of two photons exhibit a rich polarization and spatial structure, which provides a fundamental resource of strongly correlated and entangled states. This review analyzes the physics of these intriguing properties and explores the various techniques and technologies available to measure them, including the state of the art of their ...
Alessio D'Errico, Ebrahim Karimi
wiley   +1 more source

Ear-clipping Based Algorithms of Generating High-quality Polygon Triangulation

, 2012
A basic and an improved ear clipping based algorithm for triangulating simple polygons and polygons with holes are presented. In the basic version, the ear with smallest interior angle is always selected to be cut in order to create fewer sliver ...
B Chazelle, GH Meisters, GT Toussaint, H ElGindy, H-YF Feng, J O’Rourke, JC Tipper, M Berg, M Held, MR Garey, R Seidel, X Kong   +11 more
core   +1 more source

Domain swapping is a consequence of minimal frustration [PDF]

Proceedings of the National Academy of Sciences, 2004
The same energy landscape principles associated with the folding of proteins into their monomeric conformations should also describe how these proteins oligomerize into domain-swapped conformations. We tested this hypothesis by using a simplified model for the epidermal growth factor receptor pathway substrate 8 src homology 3 domain protein, both of ...
Sichun, Yang, Samuel S, Cho, Yaakov, Levy, Margaret S, Cheung, Herbert, Levine, Peter G, Wolynes, José N, Onuchic   +6 more
openaire   +2 more sources

Optoelectronic Synaptic Devices Using Molecular Telluride Phase‐Change Inks for Three‐Factor Learning

Advanced Functional Materials, EarlyView.
Optoelectronic synaptic devices based on solution‐processed molecular telluride GST‐225 phase‐change inks are demonstrated for three‐factor learning. A global optical signal broadcast through a silicon waveguide induces non‐volatile conductance updates exclusively in locally electrically flagged memristors.
Kevin Portner, Dhananjeya Kumaar, Giacomo Torti, Killian Keller, Till Zellweger, Florian M. Schenk, Christoph Weilenmann, Daniel Chelladurai, Vara Prasad Jonnalagadda, Ghazi Sarwat Syed, Vanessa Wood, Jürg Leuthold, Alexandros Emboras, Maksym Yarema, Mathieu Luisier   +14 more
wiley   +1 more source

Mycobacterium tuberculosis CarD, an essential global transcriptional regulator forms amyloid-like fibrils

Scientific Reports, 2018
CarD is an essential global transcription regulator from Mycobacterium tuberculosis (Mtb) that binds RNA polymerase and activates transcription by stabilizing the transcription initiation complex.
Gundeep Kaur, Soni Kaundal, Srajan Kapoor, Jonathan M. Grimes, Juha T. Huiskonen, Krishan Gopal Thakur   +5 more
doaj   +1 more source

Biological Activities of Secretory RNases: Focus on Their Oligomerization to Design Antitumor Drugs

Frontiers in Immunology, 2019
Ribonucleases (RNases) are a large number of enzymes gathered into different bacterial or eukaryotic superfamilies. Bovine pancreatic RNase A, bovine seminal BS-RNase, human pancreatic RNase 1, angiogenin (RNase 5), and amphibian onconase belong to the ...
Giovanni Gotte, Marta Menegazzi
doaj   +1 more source