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1703 Publications visible to you, out of a total of 1703
Comparative electrostatic analysis of adenylyl cyclase for isoform dependent regulation properties

Abstract

Not specified

Authors: Rudi Tong, Rebecca C. Wade, Neil J. Bruce

Date Published: 1st Dec 2016

Publication Type: Journal

STON: exploring biological pathways using the SBGN standard and graph databases.

Abstract

Not specified

Authors: Vasundra Touré, Alexander Mazein, Dagmar Waltemath, Irina Balaur, Mansoor Saqi, Ron Henkel, Johann Pellet, Charles Auffray

Date Published: 1st Dec 2016

Publication Type: Journal

A spectral model for multimodal redshift estimation

Abstract

Not specified

Authors: Sven D. Kugler, Nikolaos Gianniotis, Kai L. Polsterer

Date Published: 1st Dec 2016

Publication Type: InProceedings

Implications of Charge Penetration for Heteroatom-Containing Organic Semiconductors

Abstract (Expand)

The noncovalent interactions of neutral π-conjugated cores, pertinent to organic semiconductor materials, are intimately related to their charge transport properties and involve a subtle interplay of … dispersion, Pauli repulsion, and electrostatic contributions. Realizing structural arrangements that are both energetically preferred and sufficiently conductive is a challenge. We tackle this problem by means of charge penetration contribution to the interaction energy, boosted in systems containing large heteroatoms (e.g., sulfur, selenium, phosphorus, silicon, and arsenic). We find that in both the model and “realistic” dimers of such heteroatom-containing cores dispersion is balanced out by the exchange and interaction energy is instead governed by substantial charge penetration. These systems also feature stronger electronic couplings compared to the dispersion-driven dimers of oligoacenes and/or the herringbone assemblies. Thus, charge penetration, enhanced in the π-conjugated cores comprising larger heteroatoms, arises as an attractive strategy toward potentially more stable and efficient organic electronic materials.

Authors: Ganna Gryn’ova, Clemence Corminboeuf

Date Published: 23rd Nov 2016

Publication Type: Journal

Reaction–diffusion basis of retroviral infectivity

Abstract

Not specified

Author: S. Kashif Sadiq

Date Published: 13th Nov 2016

Publication Type: Journal

Notions of similarity for systems biology models.

Abstract

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Authors: Ron Henkel, Robert Hoehndorf, Tim Kacprowski, Christian Knüpfer, Wolfram Liebermeister, Dagmar Waltemath

Date Published: 14th Oct 2016

Publication Type: Journal

Dealing with Uncertain Multimodal Photometric Redshift Estimations

Abstract

Not specified

Author: Kai L. Polsterer

Date Published: 1st Oct 2016

Publication Type: Journal

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