About Agnieszka Obarska-Kosinska:
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Abstract (Expand)
Type I collagen is the main structural component of many tissues in the human body. It provides excellent mechanical properties to connective tissue and acts as a protein interaction hub. There is thus … a wide interest in understanding the properties and diverse functions of type I collagen at the molecular level. A precondition is an atomistic collagen I structure as it occurs in native tissue. To this end, we built full-atom models of cross-linked collagen fibrils by integrating the low-resolution structure of collagen fibril available from x-ray fiber diffraction with high-resolution structures of short collagen-like peptides from x-ray crystallography and mass spectrometry data. We created a Web resource of collagen models for 20 different species with a large variety of cross-link types and localization within the fibril to facilitate structure-based analyses and simulations of type I collagen in health and disease. To easily enable simulations, we provide parameters of the modeled cross-links for an Amber force field. The repository of collagen models is available at https://colbuilder.h-its.org.
Authors: Agnieszka Obarska-Kosinska, Benedikt Rennekamp, Aysecan Ünal, Frauke Gräter
Date Published: 7th Sep 2021
Publication Type: Journal
Created: 27th Oct 2021 at 05:41, Last updated: 5th Mar 2024 at 21:24
Abstract
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Authors: Benedikt Rennekamp, Fabian Kutzki, Agnieszka Obarska-Kosinska, Christopher Zapp, Frauke Gräter
Date Published: 16th Jan 2020
Publication Type: Journal
Created: 5th Mar 2020 at 12:52, Last updated: 5th Mar 2024 at 21:24