User profiles for A. Schug
Alexander SchugNIC Group Leader FZ Jülich, Prof. University of Duisburg-Essen Verified email at fz-juelich.de Cited by 3901 |
Rising up: hierarchical metal–organic frameworks in experiments and simulations
Controlled synthesis across several length scales, ranging from discrete molecular building
blocks to size‐ and morphology‐controlled nanoparticles to 2D sheets and thin films and …
blocks to size‐ and morphology‐controlled nanoparticles to 2D sheets and thin films and …
An all‐atom structure‐based potential for proteins: bridging minimal models with all‐atom empirical forcefields
Protein dynamics take place on many time and length scales. Coarse‐grained structure‐based
$ {\bf (G{\overline o})} $ models utilize the funneled energy landscape theory of protein …
$ {\bf (G{\overline o})} $ models utilize the funneled energy landscape theory of protein …
[HTML][HTML] Argon: systematic review on neuro-and organoprotective properties of an “inert” gas
A Höllig, A Schug, AV Fahlenkamp, R Rossaint… - International Journal of …, 2014 - mdpi.com
Argon belongs to the group of noble gases, which are regarded as chemically inert. Astonishingly
some of these gases exert biological properties and during the last decades more and …
some of these gases exert biological properties and during the last decades more and …
From protein folding to protein function and biomolecular binding by energy landscape theory
A Schug, JN Onuchic - Current opinion in pharmacology, 2010 - Elsevier
Protein folding and function are inherently linked sharing a joined funneled energy landscape.
In this theoretical framework, the integration of simulations, structural information, and …
In this theoretical framework, the integration of simulations, structural information, and …
[HTML][HTML] Filopodia-based Wnt transport during vertebrate tissue patterning
Paracrine Wnt/β-catenin signalling is important during developmental processes, tissue
regeneration and stem cell regulation. Wnt proteins are morphogens, which form concentration …
regeneration and stem cell regulation. Wnt proteins are morphogens, which form concentration …
Coevolutionary landscape inference and the context-dependence of mutations in beta-lactamase TEM-1
M Figliuzzi, H Jacquier, A Schug… - Molecular biology …, 2016 - academic.oup.com
The quantitative characterization of mutational landscapes is a task of outstanding importance
in evolutionary and medical biology: It is, for example, of central importance for our …
in evolutionary and medical biology: It is, for example, of central importance for our …
Structural basis of histidine kinase autophosphorylation deduced by integrating genomics, molecular dynamics, and mutagenesis
AE Dago, A Schug, A Procaccini… - Proceedings of the …, 2012 - National Acad Sciences
Signal transduction proteins such as bacterial sensor histidine kinases, designed to transition
between multiple conformations, are often ruled by unstable transient interactions making …
between multiple conformations, are often ruled by unstable transient interactions making …
High-resolution protein complexes from integrating genomic information with molecular simulation
Bacteria use two-component signal transduction systems (TCS) extensively to sense and
react to external stimuli. In these, a membrane-bound sensor histidine kinase (SK) …
react to external stimuli. In these, a membrane-bound sensor histidine kinase (SK) …
Robustness and generalization of structure‐based models for protein folding and function
H Lammert, A Schug, JN Onuchic - Proteins: Structure, Function …, 2009 - Wiley Online Library
Functional dynamics of native proteins share the energy landscape that guides folding into
the native state. Folding simulations of structure‐based protein models, using an minimally …
the native state. Folding simulations of structure‐based protein models, using an minimally …
Direct-Coupling Analysis of nucleotide coevolution facilitates RNA secondary and tertiary structure prediction
Despite the biological importance of non-coding RNA, their structural characterization
remains challenging. Making use of the rapidly growing sequence databases, we analyze …
remains challenging. Making use of the rapidly growing sequence databases, we analyze …