๐Ÿ”ฌ Immunebuilder๋ž€?

Immunebuilder ํ•ญ์ฒด ๊ตฌ์กฐ ์˜ˆ์ธก TCR ์˜ˆ์ธก CDR loop nanobody antibody immune modeling

Immunebuilder๋Š” ํ•ญ์ฒด(nanobody, antibody) ๋ฐ T ์„ธํฌ ์ˆ˜์šฉ์ฒด(TCR)์˜ ์„œ์—ด์„ ๊ธฐ๋ฐ˜์œผ๋กœ ๋น ๋ฅด๊ณ  ์ •ํ™•ํ•˜๊ฒŒ ๊ตฌ์กฐ๋ฅผ ์˜ˆ์ธกํ•˜๋Š” ๋”ฅ๋Ÿฌ๋‹ ๋ชจ๋ธ์ž…๋‹ˆ๋‹ค. CDR loop์™€ VH/VL pairing์— ํŠนํ™”๋œ ๊ตฌ์กฐ ์˜ˆ์ธก์„ ์ง€์›ํ•ฉ๋‹ˆ๋‹ค.

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Immunebuilder ๋Š” ํ•ญ์ฒด(antibody, nanobody) ์™€ TCR(T cell receptor) ๊ตฌ์กฐ๋ฅผ ์˜ˆ์ธกํ•˜๋Š” ๋”ฅ๋Ÿฌ๋‹ ๋ชจ๋ธ์ž…๋‹ˆ๋‹ค. ๊ธฐ์กด Alphafold2 ์•„ํ‚คํ…์ฒ˜๋ฅผ ๋ฉด์—ญ ๋‹จ๋ฐฑ์งˆ ์„œ์—ด์— ๋งž์ถ”์–ด ํŠนํ™” ํ•™์Šต์‹œํ‚จ ๊ฒฝ๋Ÿ‰ํ™” ๋ชจ๋ธ ๋กœ, ํŠนํžˆ CDR loop์˜ ๊ตฌ์กฐ ์ •ํ™•๋„์™€ ์ถ”๋ก  ์†๋„์—์„œ ๋›ฐ์–ด๋‚œ ์„ฑ๋Šฅ์„ ๋ณด์ž…๋‹ˆ๋‹ค.

์ฐธ๊ณ : VH/VL, TCR ฮฑฮฒ ๋“ฑ ์ฒด์ธ ๊ฐ„ pairing ๊ตฌ์กฐ ์˜ˆ์ธก๋„ ์ง€์›ํ•ฉ๋‹ˆ๋‹ค.

๐Ÿงช ์šฐ๋ฆฌ ํ”Œ๋žซํผ์—์„œ ์–ด๋–ป๊ฒŒ ์ œ๊ณต๋˜๋‚˜์š”?

์šฐ๋ฆฌ ํ”Œ๋žซํผ์—์„œ๋Š” Immunebuilder๋ฅผ ์ง๊ด€์ ์ธ ์ธํ„ฐํŽ˜์ด์Šค๋กœ ์ œ๊ณตํ•ฉ๋‹ˆ๋‹ค. FASTA ํ˜•์‹์œผ๋กœ ์ž…๋ ฅ๋œ ํ•ญ์ฒด ๋˜๋Š” TCR ์„œ์—ด์„ ๊ธฐ๋ฐ˜์œผ๋กœ **3D ๊ตฌ์กฐ(PDB)**๋ฅผ ๋น ๋ฅด๊ฒŒ ์˜ˆ์ธกํ•  ์ˆ˜ ์žˆ์Šต๋‹ˆ๋‹ค.

๊ตฌ์กฐ ์˜ˆ์ธก ์˜ต์…˜์œผ๋กœ ํ•ญ์ฒด, nanobody, TCR ์ค‘ ์„ ํƒ ํ•  ์ˆ˜ ์žˆ์œผ๋ฉฐ, ๊ฐ ์˜์—ญ์˜ ํŠน์ง•์— ๋งž์ถฐ ์ตœ์ ํ™”๋œ ๋ชจ๋ธ์ด ์‚ฌ์šฉ๋ฉ๋‹ˆ๋‹ค.

๐Ÿ“ ์‚ฌ์šฉ ๋ฐฉ๋ฒ• ์•ˆ๋‚ด

1. ์ž‘์—… ์ด๋ฆ„ ์ง€์ •

  • ์˜ˆ: Immunebuilder_test1

2. ์ž…๋ ฅ ๋ฐฉ์‹ ์„ ํƒ

  • ์•„๋ฏธ๋…ธ์‚ฐ ์„œ์—ด ์ž…๋ ฅ (FASTA ํ˜•์‹, VH/VL ํ˜น์€ TCR ฮฑ/ฮฒ)

3. ํŒŒ๋ผ๋ฏธํ„ฐ ์„ค์ •

์˜ต์…˜์„ค๋ช…
Molecule typeAntibody, Nanobody, TCR ์ค‘ ์„ ํƒ

4. ๊ฒฐ๊ณผ ํ™•์ธ

  • ์˜ˆ์ธก๋œ 3D ๊ตฌ์กฐ (PDB ํฌ๋งท)
Job Name: Immunebuilder_test1
์ž…๋ ฅ๊ฐ’ ์˜ˆ์‹œ:
FASTA: >VH_chain\nEVQLVESGGGLV...
์˜ต์…˜: Molecule = Antibody

๐Ÿงฌ ๋ถ„์„ ๊ฒฐ๊ณผ ํ™œ์šฉ ์˜ˆ์‹œ

  • ํ•ญ์ฒด ์„ค๊ณ„ ์ดˆ๊ธฐ ๋‹จ๊ณ„: CDR ๋ณ€ํ˜• ํ›„๋ณด ๊ตฌ์กฐ ๋น ๋ฅด๊ฒŒ ํ™•๋ณด
  • TCR ๊ตฌ์กฐ ๋ชจ๋ธ๋ง: TCR ๊ธฐ๋ฐ˜ ๋ฉด์—ญ ์น˜๋ฃŒ์ œ ์„ค๊ณ„์šฉ ๊ตฌ์กฐ ์˜ˆ์ธก
  • ์—”์ง€๋‹ˆ์–ด๋ง ์ „์ฒ˜๋ฆฌ: loop ๊ตฌ์กฐ ์•ˆ์ •์„ฑ ๊ฒ€ํ†  ํ›„ downstream ๋ถ„์„ ์—ฐ๊ณ„

โš ๏ธ ์ฃผ์˜์‚ฌํ•ญ

ํ•ญ๋ชฉ๋‚ด์šฉ
์ž…๋ ฅ ๋Œ€์ƒํ•ญ์ฒด(VH/VL), nanobody, TCR ฮฑฮฒ ์ฒด์ธ
์˜ˆ์ธก ๋ฒ”์œ„๋‹จ์ผ์ฒด ๊ตฌ์กฐ ์˜ˆ์ธก๋งŒ ๊ฐ€๋Šฅ (ํ•ญ์› ํฌํ•จ ๋ถˆ๊ฐ€)
ํ•œ๊ณ„์ ๋ณตํ•ฉ์ฒด ์˜ˆ์ธก ๋ถˆ๊ฐ€. ํ•ญ์ฒด-ํ•ญ์› ๋„ํ‚น์€ ๋ณ„๋„ ์ˆ˜ํ–‰ ํ•„์š”

โœ… ๋งˆ๋ฌด๋ฆฌ

Immunebuilder๋Š” ํ•ญ์ฒด ๋ฐ TCR ๊ตฌ์กฐ ์˜ˆ์ธก์„ ๋น ๋ฅด๊ฒŒ ์ˆ˜ํ–‰ํ•  ์ˆ˜ ์žˆ๋Š” ๋ฉด์—ญ ๋‹จ๋ฐฑ์งˆ ํŠนํ™” ๋ชจ๋ธ์ž…๋‹ˆ๋‹ค. Diffdock-PP, GROMACS, PRODIGY ๋“ฑ๊ณผ ์—ฐ๊ณ„ํ•˜์—ฌ ๋ณตํ•ฉ์ฒด ๋ชจ๋ธ๋ง๊ณผ ๊ฒฐํ•ฉ๋ ฅ ํ‰๊ฐ€๊นŒ์ง€ ํ™•์žฅ ๋ถ„์„์ด ๊ฐ€๋Šฅํ•ฉ๋‹ˆ๋‹ค.

์ง€๊ธˆ ๋ฐ”๋กœ Immunebuilder ๋ถ„์„ ํŽ˜์ด์ง€์—์„œ ์ง์ ‘ ์‚ฌ์šฉํ•ด๋ณด์„ธ์š”!


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