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Molecular Dynamics Simulations in Drug Discovery and Pharmaceutical Development

Abstract

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Authors: Outi M. H. Salo-Ahen, Ida Alanko, Rajendra Bhadane, Alexandre M. J. J. Bonvin, Rodrigo Vargas Honorato, Shakhawath Hossain, André H. Juffer, Aleksei Kabedev, Maija Lahtela-Kakkonen, Anders Støttrup Larsen, Eveline Lescrinier, Parthiban Marimuthu, Muhammad Usman Mirza, Ghulam Mustafa, Ariane Nunes-Alves, Tatu Pantsar, Atefeh Saadabadi, Kalaimathy Singaravelu, Michiel Vanmeert

Date Published: 2021

Publication Type: Journal

Computerwissenschaften und The Circle -- The Circle und Computerwissenschaften

Abstract

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Author: Michael Strube

Date Published: 2021

Publication Type: InBook

Pre-supernova evolution, compact-object masses, and explosion properties of stripped binary stars

Abstract

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Authors: F. R. N. Schneider, Ph. Podsiadlowski, B. Müller

Date Published: 2021

Publication Type: Journal

New Time Step Strategy for Multi-period Optimal Power Flow Problems

Abstract

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Authors: Nils Schween, Philipp Gerstner, Nico Meyer-Hübner, Vincent Heuveline

Date Published: 2021

Publication Type: InBook

Molecular mechanisms of AMPAR modulation by auxiliary subunits

Abstract

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Author: Jan-Niklas Dohrke

Date Published: 2021

Publication Type: Master's Thesis

FAST, ADAPTED, CURATED FAIR DATA FOR COVID-19 RESEARCH

Abstract (Expand)

Research projects such as the international COVID-19 Disease Map initiative and the German COVID-19 study hub of NFDI are supported by de.NBI-SysBio tools and services in organizing and sharing research … data ’FAIRly‘. This is done via the data management platform FAIRDOMHub/SEEK which is quickly adapted to the users' needs. COVID-19 related literature is manually curated and used for basic research about the curation process of SABIO-RK to provide the research community with high quality kinetics data.

Authors: Maja Rey, Andreas Weidemann, Ulrike Wittig, Dorotea Dudas, Sucheta Ghosh, Martin Golebiewski, Xiaoming Hu, Wolfgang Müller

Date Published: 2021

Publication Type: Booklet

A function of profilin in force generation during malaria parasite motility that is independent of actin binding

Abstract (Expand)

During transmission of malaria-causing parasites from mosquito to mammal, Plasmodium sporozoites migrate at high speed within the skin to access the bloodstream and infect the liver. This unusual gliding … motility is based on retrograde flow of membrane proteins and highly dynamic actin filaments that provide short tracks for a myosin motor. Using laser tweezers and parasite mutants, we previously suggested that actin filaments form macromolecular complexes with plasma membrane-spanning adhesins to generate force during migration. Mutations in the actin-binding region of profilin, a near ubiquitous actin-binding protein, revealed that loss of actin binding also correlates with loss of force production and motility. Here, we show that different mutations in profilin, that do not affect actin binding in vitro, still generate lower force during Plasmodium sporozoite migration. Lower force generation inversely correlates with increased retrograde flow suggesting that, like in mammalian cells, the slow down of flow to generate force is the key underlying principle governing Plasmodium gliding motility.

Authors: Catherine A. Moreau, Katharina A. Quadt, Henni Piirainen, Hirdesh Kumar, Saligram P. Bhargav, Léanne Strauss, Niraj H. Tolia, Rebecca C. Wade, Joachim P. Spatz, Inari Kursula, Friedrich Frischknecht

Date Published: 2021

Publication Type: Journal

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