Filter and export

Publications

What is a Publication?
1703 Publications visible to you, out of a total of 1703
A Numerical Scheme for the Compressible Low-Mach Number Regime of Ideal Fluid Dynamics

Abstract

Not specified

Authors: Wasilij Barsukow, Philipp V. F. Edelmann, Christian Klingenberg, Fabian Miczek, Friedrich K. Röpke

Date Published: 1st Aug 2017

Publication Type: Journal

Testing a one-dimensional prescription of dynamical shear mixing with a two-dimensional hydrodynamic simulation

Abstract

Not specified

Authors: P. V. F. Edelmann, F. K. Röpke, R. Hirschi, C. Georgy, S. Jones

Date Published: 1st Aug 2017

Publication Type: Journal

Perturbations of the Spence-Abel equation and deformations of the dilogarithm function

Abstract (Expand)

We analyze existence, uniqueness and regularity of solutions for perturbations of the Spence-Abel equation for the Rogers’ dilogarithm. As an application we deduce a version of Hyers-Ulam stability for … the Spence-Abel equation.

Authors: Tobias Hartnick, Andreas Ott

Date Published: 1st Aug 2017

Publication Type: Journal

TRAPP webserver: predicting protein binding site flexibility and detecting transient binding pockets.

Abstract

Not specified

Authors: Antonia Stank, Daria B. Kokh, Max Horn, Elena Sizikova, Rebecca Neil, Joanna Panecka, Stefan Richter, Rebecca C. Wade

Date Published: 3rd Jul 2017

Publication Type: Journal

Testing for redshift evolution of Type Ia supernovae using the strongly lensed PS1-10afx at z = 1.4

Abstract

Not specified

Authors: T. Petrushevska, R. Amanullah, M. Bulla, M. Kromer, R. Ferretti, A. Goobar, S. Papadogiannakis

Date Published: 1st Jul 2017

Publication Type: Journal

Heterotetracenes: Flexible Synthesis and in Silico Assessment of the Hole-Transport Properties

Abstract (Expand)

Thienoacenes and furoacenes are among the most frequent molecular units found in organic materials. The efficient synthesis of morphologically different heteroacenes and the rapid determination of their … solid‐state and electronic properties are still challenging tasks, which slow down progress in the development of new materials. Here, we report a flexible and efficient synthesis of unprecedented heterotetracenes based on a platinum‐ and gold‐catalyzed cyclization–alkynylation domino process using EthynylBenziodoXole (EBX) hypervalent iodine reagents in the key step. The proof‐of‐principle in silico estimation of the synthesized tetracenes’ charge transport properties reveals their strong dependence on both the position and nature of the heteroatoms in the ring system. A broad range of mobility is predicted, with some compounds displaying performance potentially comparable to that of state‐of‐the‐art electronic organic materials.

Authors: Yifan Li, Ganna Gryn'ova, Felipe Saenz, Xavier Jeanbourquin, Kevin Sivula, Clémence Corminboeuf, Jérôme Waser

Date Published: 12th Jun 2017

Publication Type: Journal

Kinetics for Drug Discovery: an industry-driven effort to target drug residence time

Abstract (Expand)

A considerable number of approved drugs show non-equilibrium binding characteristics, emphasizing the potential role of drug residence times for in vivo efficacy. Therefore, a detailed understanding … of the kinetics of association and dissociation of a target–ligand complex might provide crucial insight into the molecular mechanism-of-action of a compound. This deeper understanding will help to improve decision making in drug discovery, thus leading to a better selection of interesting compounds to be profiled further. In this review, we highlight the contributions of the Kinetics for Drug Discovery (K4DD) Consortium, which targets major open questions related to binding kinetics in an industry-driven public-private partnership.

Authors: Doris A. Schuetz, Wilhelmus Egbertus Arnout de Witte, Yin Cheong Wong, Bernhard Knasmueller, Lars Richter, Daria B. Kokh, S. Kashif Sadiq, Reggie Bosma, Indira Nederpelt, Laura H. Heitman, Elena Segala, Marta Amaral, Dong Guo, Dorothee Andres, Victoria Georgi, Leigh A. Stoddart, Steve Hill, Robert M. Cooke, Chris De Graaf, Rob Leurs, Matthias Frech, Rebecca C. Wade, Elizabeth Cunera Maria de Lange, Adriaan P. IJzerman, Anke Müller-Fahrnow, Gerhard F. Ecker

Date Published: 1st Jun 2017

Publication Type: Journal

Powered by
 (v.1.16.0)
About HITS Publication SEEK | About HITS-Publication-SEEK | Funding and Programmes | Credits
Copyright © 2008 - 2024 The University of Manchester and HITS gGmbH