[3dem] Announcing the 2021 EMDataResource Ligand Model Challenge

[Cathy Lawson]

EMDataResource is launching a new Model Challenge today.  Please consider participating!

Details: https://urldefense.com/v3/__https://challenges.emdataresource.org/?q=2021-model-challenge__;!!Mih3wA!UnV7kM9Pnv5frdAd11fUO5xUuIgrCvYl37osxfQzkQLEs_nhQv5Zmtzx5WV8iXWX7Q$  <https://urldefense.com/v3/__https://challenges.emdataresource.org/?q=2021-model-challenge__;!!Mih3wA!UnV7kM9Pnv5frdAd11fUO5xUuIgrCvYl37osxfQzkQLEs_nhQv5Zmtzx5WV8iXWX7Q$ >
Registration: https://urldefense.com/v3/__https://challenges.emdataresource.org/?q=2021-registration__;!!Mih3wA!UnV7kM9Pnv5frdAd11fUO5xUuIgrCvYl37osxfQzkQLEs_nhQv5Zmtzx5WUF5sj6bQ$  <https://urldefense.com/v3/__https://challenges.emdataresource.org/?q=2021-registration__;!!Mih3wA!UnV7kM9Pnv5frdAd11fUO5xUuIgrCvYl37osxfQzkQLEs_nhQv5Zmtzx5WUF5sj6bQ$ > 

Announcing the 2021 Ligand Model Challenge
February 1, 2021: Our next model challenge launches today: the 2021 EMDataResource Ligand Model Challenge <https://urldefense.com/v3/__https://challenges.emdataresource.org/?q=2021-model-challenge__;!!Mih3wA!UnV7kM9Pnv5frdAd11fUO5xUuIgrCvYl37osxfQzkQLEs_nhQv5Zmtzx5WV8iXWX7Q$ >. The task for modeler teams in this round is to optimize reference models against selected target maps containing protein or protein+RNA, ligands, ions and solvent (1.9-2.5 Å resolution range).

The three targets are β-Galactosidase (1.8 Å), SARS-CoV-2 Polymerase/remdesivir (2.5 Å), and SARS-CoV-2 ORF3a putative ion channel in nano disc (2.1 Å). Evaluation/model comparison in this round will strongly focus on the ligands and their local environment, and will include additional ligand-specific assessments.

The deadline for submission of completed models is March 15 (3 PM US Eastern). All interested in participating should fill out the registration form <https://urldefense.com/v3/__https://challenges.emdataresource.org/?q=2021-registration__;!!Mih3wA!UnV7kM9Pnv5frdAd11fUO5xUuIgrCvYl37osxfQzkQLEs_nhQv5Zmtzx5WUF5sj6bQ$ >.

In preparation for the evaluation phase of the Challenge, we welcome recommendations from the structural biology community regarding ligand-specific evaluation tools. Please send suggestions to challenges at emdataresource.org <mailto:challenges at emdataresource.org>.
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