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430 Publications visible to you, out of a total of 430
Space astrometry of the very massive ∼150 M⊙ candidate runaway star VFTS682

Abstract

Not specified

Authors: M Renzo, S E de Mink, D J Lennon, I Platais, R P van der Marel, E Laplace, J M Bestenlehner, C J Evans, V Hénault-Brunet, S Justham, A de Koter, N Langer, F Najarro, F R N Schneider, J S Vink

Date Published: 2019

Publication Type: Journal

Data Formats for Systems Biology and Quantitative Modeling

Abstract (Expand)

Data standards support the reliable exchange of information, the interoperability of tools, and the reproducibility of scientific results. In systems biology standards are agreed ways of structuring, … describing, and associating models and data, as well as their respective parts, graphical visualization, and information about applied experimental or computational methods. Such standards also assist with describing how constituent parts interact together, or are linked, and how they are embedded in their environmental and experimental context. Here the focus will be on standards for formatting models and their content, and on metadata checklists and ontologies that support modeling.

Author: Martin Golebiewski

Date Published: 2019

Publication Type: Journal

Studying Functional Disulphide Bonds by Computer Simulations

Abstract (Expand)

Biochemical and structural data reveal important aspects of the properties and function of a protein disulphide bond. Molecular dynamics simulations can complement this experimental data and can yield … valuable insights into the dynamical behavior of the disulphide bond within the protein environment. Due to the increasing accuracy of the underlying energetic description and the increasing computational power at hand, such simulations have now reached a level, at which they can also make quantitative and experimentally testable predictions. We here give an overview of the computational methods used to predict functional aspects of protein disulphides, including the prestress, protein allosteric effects upon thiol/disulphide exchange, and disulphide redox potentials. We then outline in detail the use of free-energy perturbation methods to calculate the redox potential of a protein disulphide bond of interest. In a step-by-step protocol, we describe the workflow within the MD suite Gromacs, including practical advice on the simulation setup and choice of parameters. For other disulphide-related simulation methods, we refer to resources available online.

Authors: Frauke Gräter, Wenjin Li

Date Published: 2019

Publication Type: InBook

Parasitoid biology preserved in mineralized fossils

Abstract

Not specified

Authors: Thomas van de Kamp, Achim H. Schwermann, Tomy dos Santos Rolo, Philipp D. Lösel, Thomas Engler, Walter Etter, Tomáš Faragó, Jörg Göttlicher, Vincent Heuveline, Andreas Kopmann, Bastian Mähler, Thomas Mörs, Janes Odar, Jes Rust, Nicholas Tan Jerome, Matthias Vogelgesang, Tilo Baumbach, Lars Krogmann

Date Published: 1st Dec 2018

Publication Type: Journal

Monte-Carlo methods for NLTE spectral synthesis of supernovae

Abstract

Not specified

Authors: M. Ergon, C. Fransson, A. Jerkstrand, C. Kozma, M. Kromer, K. Spricer

Date Published: 1st Dec 2018

Publication Type: Journal

Type Iax supernovae as a few-parameter family

Abstract

Not specified

Authors: Barnabás Barna, Tamás Szalai, Wolfgang E Kerzendorf, Markus Kromer, Stuart A Sim, Mark R Magee, Bruno Leibundgut

Date Published: 1st Nov 2018

Publication Type: Journal

An empirical analysis of enzyme function reporting for experimental reproducibility: Missing/incomplete information in published papers

Abstract

Not specified

Authors: Peter Halling, Paul F. Fitzpatrick, Frank M. Raushel, Johann Rohwer, Santiago Schnell, Ulrike Wittig, Roland Wohlgemuth, Carsten Kettner

Date Published: 1st Nov 2018

Publication Type: Journal

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