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List of works by Alexander Schug

Biomolecular coevolution and its applications: Going from structure prediction toward signaling, epistasis, and function.

scientific article

CORE-MD, a path correlated molecular dynamics simulation method

scientific article published on 01 August 2020

Cells in Silico - introducing a high-performance framework for large-scale tissue modeling

scientific article published on 06 October 2020

Formation of a Secretion-Competent Protein Complex by a Dynamic Wrap-around Binding Mechanism

scientific article published on 02 August 2018

Identification of evolutionary and kinetic drivers of NAD-dependent signaling

scientific article published on 24 July 2019

Including residual contact information into replica-exchange MD simulations significantly enriches native-like conformations

scientific article published on 16 November 2020

Modeling of Wnt-mediated tissue patterning in vertebrate embryogenesis

scientific article published on 24 June 2020

Rapid interpretation of small-angle X-ray scattering data

scientific article published on 22 March 2019

Rising Up: Hierarchical Metal-Organic Frameworks in Experiments and Simulations

scientific article published on 20 May 2019

Simulation of FRET dyes allows quantitative comparison against experimental data.

scientific article published in March 2018

Wnt/PCP controls spreading of Wnt/β-catenin signals by cytonemes in vertebrates

scientific article published on 31 July 2018

pyrexMD: Workflow-Orientated Python Package for Replica Exchange Molecular Dynamics

scientific article published on 01 December 2021

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