Afpdb: an efficient structure manipulation package for AI protein design.

Journal: Bioinformatics (Oxford, England)
Published Date: Nov 28, 2024

Abstract

MOTIVATION: The advent of AlphaFold and other protein Artificial Intelligence (AI) models has transformed protein design, necessitating efficient handling of large-scale data and complex workflows. Using existing programming packages that predate recent AI advancements often leads to inefficiencies in human coding and slow code execution. To address this gap, we developed the Afpdb package.

Authors

  • Yingyao Zhou
    Novartis Biomedical Research, 10675 John Jay Hopkins Drive, San Diego, CA, 92121, USA. yingyao.zhou@novartis.com.
  • Jiayi Cox
    Biologics Research Center, Novartis Biomedical Research, San Diego, CA 92121, United States.
  • Bin Zhou
    Department of Oral and Maxillofacial Surgery, Sun Yat-sen Memorial Hospital, Sun Yat-sen University, Guangzhou, China.
  • Steven Zhu
    DMD Candidate, Harvard School of Dental Medicine, Boston, MA.
  • Yang Zhong
    Department of Radiation Oncology, Fudan University Shanghai Cancer Center, Shanghai, 200032, China.
  • Glen Spraggon
    Biologics Research Center, Novartis Biomedical Research, San Diego, CA 92121, United States.

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