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Collagen: Rediscovering the Most Abundant Protein of Our Body with HPC

Event Details:

  • Date:          Tuesday, 4 May 2021
  • Time:         Starts: 16:00
  • Venue:       Live streaming of the discussion will be available on Zoom (Password: VsSCz1).
  • Speaker:    Prof. Frauke Gräter, Head and Scientific Director, “Molecular Biomechanics” Research Group, The Heidelberg Institute of Theoretical Studies (HITS); Professor, Heidelberg University



CyI Logo RTI ver b     CaSToRC HPC

 

 CaSToRC, the HPC National Competence Centre,
 invites you to the EuroCC and SimEA Online Seminar Series

 
The webinar will be in English and the live stream is open to the public.
Live streaming of the discussion will be available on Zoom (Password: VsSCz1).
Images and/or recordings of our open public events may be used by The Cyprus Institute for dissemination purposes including print and digital media such as websites, press-releases, social media, and live streaming.

 

                                                                                                             

Abstract

Materials - be it a shoe sole or an Achilles tendon - respond to mechanical stress involving length scales all the way down to atoms and electrons, rendering computational materials science a prime application area of HPC.
Prof. Gräter will show how large scale simulations of collagen have fundamentally changed our understanding of this protein, the most abundant building block of our body and its major load-bearing material. We find tension in this biomaterial, as it occurs in our Achilles tendon or muscle, to result in molecular rupture events with vast consequences to the tissue. She will share her recent efforts towards an efficient, scalable and transferable reactive Molecular Dynamics scheme by a combination with kinetic Monte Carlo simulations to cover these and related processes at the relevant time and length scales and yet at atomistic details. The findings, making ample use of HPC infrastructure and in combination with our experimental studies, open new routes towards addressing mechanical stress-induced diseases such as pain or inflammation

About the Speaker

Andreas EfstathiouProf. Frauke Gräter
Frauke Gräter is head of the research group “Molecular Biomechanics” at the Heidelberg Institute of Theoretical Studies (HITS) and Professor at Heidelberg University. She also currently acts as Scientific Director of HITS. She investigates how proteins have been designed to specifically respond to mechanical forces in the cellular environment or as a biomaterial, e.g. in the process of blood coagulation or in collagen fibers. To this end, her group uses and further develops various multi-scale molecular simulation techniques.

She is a recipient of the PRACE Ada Lovelace Award for High Performance Computing 2017 and has been awarded an ERC Consolidator Grant (RADICOL, 2021-2026). As of 2021, she is an Editorial Board Member of Biophysical Journal.

 

Download the Summer 2021 Online EuroCC & SimEA Seminar Series Programme here.


EuroCC Simea Seminar Series 2 


 

Contact This email address is being protected from spambots. You need JavaScript enabled to view it.

 

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Additional Info

  • Date: Tuesday, 4 May 2021
  • Time: Starts: 16:00
  • Speaker: Prof. Frauke Gräter, Head and Scientific Director, “Molecular Biomechanics” Research Group, The Heidelberg Institute of Theoretical Studies (HITS); Professor, Heidelberg University
  1. August 2016
  2. September 2016
For the initial monitoring of the building the SUI CyI research team installed a weather station on the roof, placed sensors inside the building and performed a thermal comfort assessment survey.

1. Climate data monitoring

Exterior
A Vantage Pro2 weather station was placed on the building roof to collect data from the SUI area. Regularly updated information about the climatic conditions could be found on the station webpage: http://www.weatherlink.com/user/suitepakcy/. The weather station base was designed and installed by the CyI technical equipment development team.

Interior
Twelve (12) HOBO data-loggers were placed in the building, for collecting temperature, humidity and light data. The data are collected every 30 minutes and will be elaborated with the HOBOware software.

2. Thermal comfort assessment questionnaire

A survey on occupant comfort satisfaction with the indoor environment in summer was conducted. The questionnaire was based on templates proposed by the HSE (http://www.hse.gov.uk/temperature/index.htm). A third of the total employees were asked and complementary measurements were made using a Heat Stress WBGT (Wet Bulb Globe Temperature) Meter, both for the indoor and the outdoor climatic conditions at the time of the survey.

Images below, from left to right:
Left: The Vantage Pro2 weather station
Middle: HOBO data logger placed in the working place – 1st floor
Right: Completed questionnaire (first page) – Ground floor.

View the embedded image gallery online at:
https://www.cyi.ac.cy/index.php/sui-activities/sui-building-monitoring/collagen-rediscovering-the-most-abundant-protein-of-our-body-with-hpc.html#sigProGalleria86fa08f526

1. Thermal imaging

Thermal images were taken using a T440 Flir thermal camera in order to find missing, damaged, or inadequate insulation, building envelope air leaks, moisture intrusion and other problems. Also, the main sources of radiant temperature were determined.

2. HOBO sensors data collection and analysis

The temperature, humidity, air movement and dew point data from the HOBO sensors were collected and analysed. The mean predicted vote (PMV) was calculated using the CBE Thermal Comfort Tool (http://comfort.cbe.berkeley.edu/EN). In all the spaces under monitoring the people are expected to be in thermal comfort, since all values are within the thermal comfort range of -0.7

Images below, from left to right:
Left: A thermal image from the mezzanine
Right: Graph. Thermal Comfort PMV

View the embedded image gallery online at:
https://www.cyi.ac.cy/index.php/sui-activities/sui-building-monitoring/collagen-rediscovering-the-most-abundant-protein-of-our-body-with-hpc.html#sigProGalleria1b1c874984

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