Results 71 to 80 of about 6,014,967 (278)

Density functional theory using an optimized exchange-correlation potential

, 1995
We have performed self-consistent calculations for first and second row atoms using a variant of density-functional theory, the optimized effective potential method, with an approximation due to Krieger, Li and Iafrate and a correlation-energy functional
Almbladh, Becke, Colle, Colle, Davidson, Dreizler, E.K.U. Gross, Engel, Engel, Froese Fischer, Gilbert, Gill, Harriman, Hohenberg, Johnson, Kohn, Krieger, Krieger, Krieger, Lee, Montgomery, Norman, Parr, Perdew, Radzig, Sharp, Slater, Talman, Tobias Grabo, Vosko, Zhu, Zumbach, Zumbach   +32 more
core   +1 more source

In situ molecular organization and heterogeneity of the Legionella Dot/Icm T4SS

FEBS Letters, EarlyView.
We present a nearly complete in situ model of the Legionella Dot/Icm type IV secretion system, revealing its central secretion channel and identifying new components. Using cryo‐electron tomography with AI‐based modeling, our work highlights the structure, variability, and mechanism of this complex nanomachine, advancing understanding of bacterial ...
Przemysław Dutka, Yuxi Liu, Stefano Maggi, Debnath Ghosal, Jue Wang, Prashant P. Damke, Stephen D. Carter, Wei Zhao, Sukhithasri Vijayrajratnam, Joseph P. Vogel, Carrie L. Shaffer, Grant J. Jensen   +11 more
wiley   +1 more source

An introduction to “Second Order Subelliptic PDEs”: the scientific work of Ermanno Lanconelli

Analysis and Geometry in Metric Spaces
We present an overview of the scientific activity of Ermanno Lanconelli, to whom this volume is dedicated on the occasion of his birthday.
Bonfiglioli Andrea, Citti Giovanna, Cupini Giovanni, Kogoj Alessia E., Manfredini Maria, Montanari Annamaria, Morbidelli Daniele, Pascucci Andrea, Polidoro Sergio, Tralli Giulio, Uguzzoni Francesco   +10 more
doaj   +1 more source

Yukawa Potential, Panharmonic Measure and Brownian Motion

Axioms, 2018
This paper continues our earlier investigation, where a walk-on-spheres (WOS) algorithm for Monte Carlo simulation of the solutions of the Yukawa and the Helmholtz partial differential equations (PDEs) was developed by using the Duffin correspondence. In
Antti Rasila, Tommi Sottinen
doaj   +1 more source

Semiclassical theory of potential scattering for massless Dirac fermions

, 2013
In this paper we study scattering of two-dimensional massless Dirac fermions by a potential that depends on a single Cartesian variable. Depending on the energy of the incoming particle and its angle of incidence, there are three different regimes of ...
Berry, Castro Neto, Cheianov, Cherry, Evgrafov, Fock, Fröman, Fröman, Furry, Gans, Geim, Gomes, Griffiths, Hartmann, Hasan, Heading, Jeffreys, K.J.A. Reijnders, Katsnelson, Katsnelson, Kemble, Landau, Langer, Lynn, M.I. Katsnelson, Martin, Maslov, Miserev, Moore, Morse, Pokrovskii, Pokrovskii, Pokrovskii, Qi, Rayleigh, Shytov, Silvestrov, Singha, Sonin, Stander, Stokes, Stone, T. Tudorovskiy, Tudorovskiy, Vozmediano, Whittaker, Young, Zauderer   +47 more
core   +1 more source

Sequence determinants of RNA G‐quadruplex unfolding by Arg‐rich regions

FEBS Letters, EarlyView.
We show that Arg‐rich peptides selectively unfold RNA G‐quadruplexes, but not RNA stem‐loops or DNA/RNA duplexes. This length‐dependent activity is inhibited by acidic residues and is conserved among SR and SR‐related proteins (SRSF1, SRSF3, SRSF9, U1‐70K, and U2AF1).
Naiduwadura Ivon Upekala De Silva, Puspa Kunwar, Md Ibnul Rifat Rahman, Joanna Koryo Kwao, Nathan Lehman, Zihan Zhang, Trenton Paul, Claire Cheng, Nicholas Truex, Hui‐Ting Lee, Jun Zhang   +10 more
wiley   +1 more source

Value distribution and potential theory

, 2002
We describe some results of value distribution theory of holomorphic curves and quasiregular maps, which are obtained using potential theory. Among the results discussed are: extensions of Picard's theorems to quasiregular maps between Riemannian ...
Eremenko, Alexandre
core   +2 more sources

Representation of multivariate functions via the potential theory [PDF]

, 2003
In this paper, by the use of Potential Theory, some representation results for multivariate functions from the Sobolev spaces in terms of the double layer potential and the fundamental solution of Laplace's equation are pointed out.
Cirstea, Florica-Corina, Dragomir, Sever Silvestru   +1 more
core   +1 more source

Two-loop effective potential in noncommutative scalar field theory

, 2000
The renormalization of effective potential for the noncommutative scalar field theory is investigated to the two-loop approximation. It is seen that the nonplanar diagram does not appear in the one-loop potential.
Aref'eva, Campbell, Chepelev, Coleman, Connes, Connes, Connes, Filk, Hayakawa, Hayakawa, Hofman, Jackiw, Korthals-Altes, Krajewski, Landi, Martin, Matusis, Micu, Minwalla, Morariu, Obers, Schücker, Seiberg, Sheikh-Jabbari, Snyder, Snyder, Várilly, Wung-Hong Huang   +27 more
core   +1 more source

Cell wall target fragment discovery using a low‐cost, minimal fragment library

FEBS Letters, EarlyView.
LoCoFrag100 is a fragment library made up of 100 different compounds. Similarity between the fragments is minimized and 10 different fragments are mixed into a single cocktail, which is soaked to protein crystals. These crystals are analysed by X‐ray crystallography, revealing the binding modes of the bound fragment ligands.
Kaizhou Yan, Mathew Stanley, Olawale Raimi, Andrew T. Ferenbach, Helge C Dorfmueller, Daan M. F. van Aalten   +5 more
wiley   +1 more source