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BioExcel Deliverable 4.1 – Dissemination and Outreach Plan

Project: BioExcel

Updated at: 28-04-2024

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Project acronym BioExcel

Targeting RNA structure in SMN2 reverses spinal muscular atrophy molecular phenotypes

Project: BioExcel

Updated at: 28-04-2024

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Project acronym BioExcel

Alchemical Free Energy Calculations for Nucleotide Mutations in Protein–DNA Complexes

Project: BioExcel

Updated at: 28-04-2024

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Project acronym BioExcel

Protein Flexibility and Synergy of HMG Domains Underlie U-Turn Bending of DNA by TFAM in Solution

Project: BioExcel

Updated at: 28-04-2024

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Project acronym BioExcel

Performance of HADDOCK and a simple contact-based protein–ligand binding affinity predictor in the D3R Grand Challenge...

Project: BioExcel

Updated at: 28-04-2024

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Project acronym BioExcel

iSEE: Interface structure, evolution, and energy-based machine learning predictor of binding affinity changes upon mutat...

Project: BioExcel

Updated at: 28-04-2024

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Project acronym BioExcel

GROmaρs: A GROMACS-Based Toolset to Analyze Density Maps Derived from Molecular Dynamics Simulations

Project: BioExcel

Updated at: 28-04-2024

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Project acronym BioExcel

SpotOn: High Accuracy Identification of Protein-Protein Interface Hot-Spots

Project: BioExcel

Updated at: 28-04-2024

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Project acronym BioExcel

M3: an integrative framework for structure determination of molecular machines

Project: BioExcel

Updated at: 28-04-2024

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Project acronym BioExcel

Distinguishing crystallographic from biological interfaces in protein complexes: role of intermolecular contacts and ene...

Project: BioExcel

Updated at: 28-04-2024

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Project acronym BioExcel

BioExcel Whitepaper on Scientific Software Development

Project: BioExcel

Updated at: 28-04-2024

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Project acronym BioExcel

BioExcel Deliverable 1.2 – First project release of all pilot applications

Project: BioExcel

Updated at: 28-04-2024

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Project acronym BioExcel

I'll take that to go: Big data bags and minimal identifiers for exchange of large, complex datasets

Project: BioExcel

Updated at: 28-04-2024

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Project acronym BioExcel

Enabling precision medicine via standard communication of HTS provenance, analysis, and results

Project: BioExcel

Updated at: 28-04-2024

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Project acronym BioExcel

Robust Cross-Platform Workflows: How Technical and Scientific Communities Collaborate to Develop, Test and Share Best Pr...

Project: BioExcel

Updated at: 28-04-2024

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Project acronym BioExcel

Consistent Prediction of Mutation Effect on Drug Binding in HIV-1 Protease Using Alchemical Calculations

Project: BioExcel

Updated at: 28-04-2024

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Project acronym BioExcel

Protein–ligand pose and affinity prediction: Lessons from D3R Grand Challenge 3

Project: BioExcel

Updated at: 28-04-2024

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Project acronym BioExcel

A Membrane Protein Complex Docking Benchmark

Project: BioExcel

Updated at: 28-04-2024

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Project acronym BioExcel

Large-scale prediction of binding affinity in protein–small ligand complexes: the PRODIGY-LIG web server

Project: BioExcel

Updated at: 28-04-2024

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Project acronym BioExcel

The Archive and Package (arcp) URI scheme

Project: BioExcel

Updated at: 28-04-2024

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Project acronym BioExcel

Recommendations for BioExcel training programme.

Project: BioExcel

Updated at: 28-04-2024

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Project acronym BioExcel

Roadmap of future hardware and long-term development plan for each pilot application.

Project: BioExcel

Updated at: 28-04-2024

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Project acronym BioExcel

First release of workflows blocks and portals

Project: BioExcel

Updated at: 28-04-2024

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Project acronym BioExcel

Training report and updated plan

Project: BioExcel

Updated at: 28-04-2024

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Project acronym BioExcel

Specification of software engineering, testing & QA

Project: BioExcel

Updated at: 28-04-2024

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Project acronym BioExcel

User feedback and future roadmap.

Project: BioExcel

Updated at: 28-04-2024

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Project acronym BioExcel

Dissemination report and updated plan

Project: BioExcel

Updated at: 28-04-2024

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Project acronym BioExcel

Long-term hardware/software assessment for pilot applications and the general community

Project: BioExcel

Updated at: 28-04-2024

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Project acronym BioExcel

Selection and Establishment of User Groups

Project: BioExcel

Updated at: 28-04-2024

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Quality assurance and risk management plan.

Project: BioExcel

Updated at: 28-04-2024

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Project acronym BioExcel

Resources

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BioExcel Deliverable 4.1 – Dissemination and Outreach Plan

Targeting RNA structure in SMN2 reverses spinal muscular atrophy molecular phenotypes

Alchemical Free Energy Calculations for Nucleotide Mutations in Protein–DNA Complexes

Protein Flexibility and Synergy of HMG Domains Underlie U-Turn Bending of DNA by TFAM in Solution

Performance of HADDOCK and a simple contact-based protein–ligand binding affinity predictor in the D3R Grand Challenge...

iSEE: Interface structure, evolution, and energy-based machine learning predictor of binding affinity changes upon mutat...

GROmaρs: A GROMACS-Based Toolset to Analyze Density Maps Derived from Molecular Dynamics Simulations

SpotOn: High Accuracy Identification of Protein-Protein Interface Hot-Spots

M3: an integrative framework for structure determination of molecular machines

Distinguishing crystallographic from biological interfaces in protein complexes: role of intermolecular contacts and ene...

BioExcel Whitepaper on Scientific Software Development

BioExcel Deliverable 1.2 – First project release of all pilot applications

I'll take that to go: Big data bags and minimal identifiers for exchange of large, complex datasets

Enabling precision medicine via standard communication of HTS provenance, analysis, and results

Robust Cross-Platform Workflows: How Technical and Scientific Communities Collaborate to Develop, Test and Share Best Pr...

Consistent Prediction of Mutation Effect on Drug Binding in HIV-1 Protease Using Alchemical Calculations

Protein–ligand pose and affinity prediction: Lessons from D3R Grand Challenge 3

A Membrane Protein Complex Docking Benchmark

Large-scale prediction of binding affinity in protein–small ligand complexes: the PRODIGY-LIG web server

The Archive and Package (arcp) URI scheme

Recommendations for BioExcel training programme.

Roadmap of future hardware and long-term development plan for each pilot application.

First release of workflows blocks and portals

Training report and updated plan

Specification of software engineering, testing & QA

User feedback and future roadmap.

Dissemination report and updated plan

Long-term hardware/software assessment for pilot applications and the general community

Selection and Establishment of User Groups

Quality assurance and risk management plan.