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Merge pull request #56 from Australian-Structural-Biology-Computing/update-activities
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‎_data/CONTRIBUTORS.yml‎

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orcid: 0000-0002-9007-6273
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Rhys Grinter:
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affiliation: Lab head, University of Melbourne
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affiliation: Lab head, The University of Melbourne
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git: RhysWG
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orcid: 0000-0002-8195-5348
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Cyntia Taveneau:
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affiliation: Research Fellow, Knott Lab, Monash University
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orcid: 0000-0002-3395-4957
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orcid: 0000-0002-3395-4957
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Charlie Bond:
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affiliation: Professor, The University of Western Australia
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github: charlie-bond
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orcid: 0000-0002-9584-6783
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Joel Mackay:
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affiliation: Professor, School of Life and Environmental Sciences, University of Sydney
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orcid: 0000-0001-7508-8033
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Michael Parker:
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affiliation: Director, Bio21 Institute, The University of Melbourne
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orcid: 0000-0002-3101-1138
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image_url: /images/contributors/Parker_M.jpg
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Craig Morton:
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affiliation: Principal Research Scientist, CSIRO
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orcid: 0000-0001-5452-5193
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Brett Collins:
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affiliation: Professor, Institute for Molecular Bioscience, The University of Queensland
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orcid: 0000-0002-6070-3774
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Begoña Heras:
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affiliation: Professor in Biochemistry, La Trobe University
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orcid: 0000-0003-3469-7988

‎_data/affiliations.yml‎

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expose: true
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type: infrastructure
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url: https://www.uq.edu.au/
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- name: Bio21 Institute
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image_url: /images/infrastructures/Bio21_logo.jpg
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expose: true
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type: infrastructure
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url: https://www.bio21.unimelb.edu.au/

‎images/contributors/Parker_M.jpg‎

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‎images/infrastructures/Bio21_logo.jpg‎

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‎index.md‎

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{% include video-list-columns.html
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video_id="3Ad2gUjeSL8?si=T2Md7RwXn7YWl1S7"
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list="The protein design seminar series includes <b>6 presentations</b> from Australian structural biologists utilising the latest developments in <i>de novo</i> protein design to develop protein binders to various therapeutic targets.|Watch <b>Dr Rhys Grinter</b> share a recent project involving the development of protein binders to a protein target involved in heme piracy.|The full series schedule, seminar registration link and recordings of completed seminars are available <b><a href=\"/website/protein_design_seminars\">here</a></b>.|The next event in the series will be on <b>August 12th</b> and will describe AI-Designed Anti-CRISPRs as Programmable CRISPR Inhibitors." %}
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list="The protein design seminar series includes <b>6 presentations</b> from Australian structural biologists utilising the latest developments in <i>de novo</i> protein design to develop protein binders to various therapeutic targets.|Watch <b>Dr Rhys Grinter</b> share a recent project involving the development of protein binders to a protein target involved in heme piracy.|The full series schedule, seminar registration link and recordings of completed seminars are available <b><a href=\"/website/protein_design_seminars\">here</a></b>.|The next event in the series will be on <b>September 16th</b> and will describe using <i>in silico</i> design methods to create <i>de novo</i> proteins that selectively modulate apoptosis." %}
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## Upcoming Events
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‎pages/activities/infrastructure_roadmap.md‎

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title: Infrastructure Roadmap
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description: Draft and publish an Australian infrastructure roadmap for addressing computational challenges facing structural biology.
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type: activity_completed
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contributors: [Kate Michie, Thomas Litfin, Sarah Beecroft, Brett Collins, Matthew Downton, Rhys Grinter, Gavin Knott, Johan Gustafsson, Charlie Bond, Joel Mackay, Michael Parker, Craig Morton, Begoña Heras]
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roadmap: Community co-authored document
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roadmap_category: none
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toc: false

‎pages/activities/nci_data_collections.md‎

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- Catalog latest version of reference data.
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- Harmonize data across different structure prediction models (AlphaFold2, AlphaFold3, Boltz, ColabFold, HelixFold3, RosettaFold-AA).
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- NCI Data Collection expression of interest (Accepted).
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### In Progress
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- NCI Data Collection EOI.
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- Provision new NCI project for storage an data management.

‎pages/activities/nfcore_proteinfold.md‎

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### Completed
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- Config optimized for efficient utilization for Gadi at NCI.
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- Add RosettaFold-All-Atom.
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- Add HelixFold3.
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- Add Boltz-1.
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- Add AlphaFold3 (BYO weights).
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- Add support for local MSA search for Boltz-1.
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- Add new tools to the ProteinFold pipeline:
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- RosettaFold-All-Atom.
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- HelixFold3.
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- Boltz-1.
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- Boltz-2.
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- AlphaFold3 (BYO weights).
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- Add support for local MSA search for Boltz.
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- Add standardized reporting with visualisation.
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- Add support for quality metrics in output reporting.
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- Add standard QC metrics to HTML report.
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- Add process labels to improve efficient use of infrastructure.
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- De-duplicate reference datasets across different methods.
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### In Progress
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- Add minituare reference databases for fast troubleshooting.
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- De-duplicate reference datasets across different methods.
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- Update documentation and metro-map.
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- Test for release.

‎pages/contributing/contributing.md‎

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page_id: contributing
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#type: resources
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toc: false
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---
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{% include callout.html type="important" content="Contributing guidelines will be available soon." %}

‎pages/contributors.md‎

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page_id: contributors
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#type: resources
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toc: false
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---
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The projects included here represent a joint effort by the following people at multiple Australian institutions:

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