과학기술정보통신부 정보통신기획평가원 지원 사업

• 오픈소스SW 및 DB는 전문 개발자의 연구 및 교육에 활용 가능함
• 특정 단백질에 대한 바이오 및 신약 연구에 활용 가능한 예시 제공

유기분자 결합구조 예측을 위한 DB

단백질 결합구조 및 다중서열정렬 정보 학습 DB

단백질-유기분자/단백질-단백질 변이의 기계학습을 위한 FEP DB

PPI Integration Toolkit 문서

• Toolkits for prediction of protein-protein interaction
  • DeepFoldPublic: DeepFold protein structure prediction
  • MiniWorld: Minimal architecture for protein structure prediction
  • BIS-ProteinStructure_libraries: toolkits dealing with protein data
  • AlphaSS: AlphaFold2 using SSbond embedding
  • MSA_search_pipeline: MSA search pipeline
• Toolkits for prediction of protein-ligand interaction
  • nurikit: toolkits for ligand and protein manipulation
  • DiffAlign: diffusion model for ligand alignment
  • BindingRMSD: evaluation model for protein-ligand model structure
  • BAPred: evaluation model for protein-ligand binding affinity
  • galaxydock_dl: protein-ligand docking model
  • BsiteP: Protein-ligand binding site prediction
• PPI-Integration-Toolkit: integrated version of all toolkits

• Part 1 EGFR-antibody interaction analysis
  • Predicting protein-protein interactions
• Part 2 EGFR-ligand interaction analysis
  • Predicting protein-ligand interactions
  • Predicting the effect of protein mutations