ΠŸΠΎΠΌΠΎΡ‰ΡŒ Π² написании студСнчСских Ρ€Π°Π±ΠΎΡ‚
АнтистрСссовый сСрвис

Π£Ρ‡Π΅Ρ‚ Π³ΠΈΠ΄Ρ€ΠΎΡ„ΠΎΠ±Π½Ρ‹Ρ… взаимодСйствий ΠΏΡ€ΠΈ ΠΎΡ†Π΅Π½ΠΊΠ΅ пространствСнной структуры ΠΌΠ΅ΠΌΠ±Ρ€Π°Π½Π½Ρ‹Ρ… Π±Π΅Π»ΠΊΠΎΠ² ΠΈ Ρ€Π°Π·Ρ€Π°Π±ΠΎΡ‚ΠΊΠ΅ Π΄Π΅ΠΉΡΡ‚Π²ΡƒΡŽΡ‰ΠΈΡ… Π½Π° Π½ΠΈΡ… Π»ΠΈΠ³Π°Π½Π΄ΠΎΠ²

Π”ΠΈΡΡΠ΅Ρ€Ρ‚Π°Ρ†ΠΈΡΠŸΠΎΠΌΠΎΡ‰ΡŒ Π² Π½Π°ΠΏΠΈΡΠ°Π½ΠΈΠΈΠ£Π·Π½Π°Ρ‚ΡŒ ΡΡ‚ΠΎΠΈΠΌΠΎΡΡ‚ΡŒΠΌΠΎΠ΅ΠΉ Ρ€Π°Π±ΠΎΡ‚Ρ‹

Palczewski, K., Kumasaka, T., Hon, T., Behnke, C.A., Motoshima, H., Fox, B.A., Le Trong, I., Teller, D.C., Okada, T., Stenkamp, R.E., Yamamoto, M., Miyano, M. (2000). Crystal Structure of Rhodopsin: A G-Protein-Coupled Receptor. Science 289, 739βˆ’745. Louis, S.N., Nero, T.L., Iakovidis, D., Coiagrande, F.M., Jackman, G.P., Louis, W.J. (1999). beta (l) — and beta (2)-Adrenoceptor antagonist… Π§ΠΈΡ‚Π°Ρ‚ΡŒ Π΅Ρ‰Ρ‘ >

Π£Ρ‡Π΅Ρ‚ Π³ΠΈΠ΄Ρ€ΠΎΡ„ΠΎΠ±Π½Ρ‹Ρ… взаимодСйствий ΠΏΡ€ΠΈ ΠΎΡ†Π΅Π½ΠΊΠ΅ пространствСнной структуры ΠΌΠ΅ΠΌΠ±Ρ€Π°Π½Π½Ρ‹Ρ… Π±Π΅Π»ΠΊΠΎΠ² ΠΈ Ρ€Π°Π·Ρ€Π°Π±ΠΎΡ‚ΠΊΠ΅ Π΄Π΅ΠΉΡΡ‚Π²ΡƒΡŽΡ‰ΠΈΡ… Π½Π° Π½ΠΈΡ… Π»ΠΈΠ³Π°Π½Π΄ΠΎΠ² (Ρ€Π΅Ρ„Π΅Ρ€Π°Ρ‚, курсовая, Π΄ΠΈΠΏΠ»ΠΎΠΌ, ΠΊΠΎΠ½Ρ‚Ρ€ΠΎΠ»ΡŒΠ½Π°Ρ)

Π‘ΠΎΠ΄Π΅Ρ€ΠΆΠ°Π½ΠΈΠ΅

  • Бписок сокращСний
  • Π“Π»Π°Π²Π° 1.
  • Π’Π²Π΅Π΄Π΅Π½ΠΈΠ΅
  • Π“Π»Π°Π²Π° 2. ΠœΠ΅Ρ‚ΠΎΠ΄Ρ‹ модСлирования структуры GPCR, ΠΎΡ†Π΅Π½ΠΊΠΈ качСства ΡƒΠΏΠ°ΠΊΠΎΠ²ΠΊΠΈ Π±Π΅Π»ΠΊΠΎΠ²Ρ‹Ρ… структур ΠΈ ΠΏΡ€Π΅Π΄ΡΠΊΠ°Π·Π°Π½ΠΈΡ биологичСской активности низкомолСкулярных соСдинСний (ΠΎΠ±Π·ΠΎΡ€ Π»ΠΈΡ‚Π΅Ρ€Π°Ρ‚ΡƒΡ€Ρ‹)
    • 2. 1. ΠΠΊΡ‚ΡƒΠ°Π»ΡŒΠ½ΠΎΡΡ‚ΡŒ модСлирования пространствСнной структуры ΠΌΠ΅ΠΌΠ±Ρ€Π°Π½Π½Ρ‹Ρ… Π±Π΅Π»ΠΊΠΎΠ²
    • 2. 2. РаспространСнныС ΠΌΠ΅Ρ‚ΠΎΠ΄Ρ‹ модСлирования Ρ€Π΅Ρ†Π΅ΠΏΡ‚ΠΎΡ€ΠΎΠ² сСмСйства GPCR
    • 2. 2. L. ΠžΠ±Ρ‰Π°Ρ информация ΠΎ Ρ€Π΅Ρ†Π΅ΠΏΡ‚ΠΎΡ€Π°Ρ… GPCR
      • 2. 2. 2. ΠœΠ΅Ρ‚ΠΎΠ΄Ρ‹ модСлирования ab initio
      • 2. 2. 3. ΠœΠ΅Ρ‚ΠΎΠ΄Ρ‹ модСлирования Π½Π° ΠΎΡΠ½ΠΎΠ²Π°Π½ΠΈΠΈ Π³ΠΎΠΌΠΎΠ»ΠΎΠ³ΠΈΠΈ
    • 2. 3. Π‘ΡƒΡ‰Π΅ΡΡ‚Π²ΡƒΡŽΡ‰ΠΈΠ΅ ΠΌΠ΅Ρ‚ΠΎΠ΄Ρ‹ ΠΎΡ†Π΅Π½ΠΊΠΈ качСства ΡƒΠΏΠ°ΠΊΠΎΠ²ΠΊΠΈ Π±Π΅Π»ΠΊΠΎΠ²
    • 2. 4. ΠœΠΎΠ»Π΅ΠΊΡƒΠ»ΡΡ€Π½Π°Ρ Π΄ΠΈΠ½Π°ΠΌΠΈΠΊΠ° ΠΌΠ΅ΠΌΠ±Ρ€Π°Π½Π½Ρ‹Ρ… Π±Π΅Π»ΠΊΠΎΠ²
      • 2. 4. 1. ΠŸΠΎΠ»Π½ΠΎΠ°Ρ‚ΠΎΠΌΠ½ΠΎΠ΅ прСдставлСниС Π±Π΅Π»ΠΊΠΎΠ²Ρ‹Ρ… структур
      • 2. 4. 2. ΠšΡ€ΡƒΠΏΠ½ΠΎΠ·Π΅Ρ€Π½ΠΈΡΡ‚ΠΎΠ΅ прСдставлСниС Π±Π΅Π»ΠΊΠΎΠ²Ρ‹Ρ… структур
    • 2. 5. РасчСт Π³ΠΈΠ΄Ρ€ΠΎΡ„ΠΎΠ±Π½Ρ‹Ρ… взаимодСйствий
    • 2. 6. Π˜Π·ΡƒΡ‡Π΅Π½ΠΈΠ΅ ΡΠΎΠΎΡ‚Π½ΠΎΡˆΠ΅Π½ΠΈΠΉ «ΡΡ‚Ρ€ΡƒΠΊΡ‚ΡƒΡ€Π° — Π°ΠΊΡ‚ΠΈΠ²Π½ΠΎΡΡ‚ΡŒ» для Π»ΠΈΠ³Π°Π½Π΄ΠΎΠ² Π±Π΅Ρ‚Π°2-адрСнэргичСского Ρ€Π΅Ρ†Π΅ΠΏΡ‚ΠΎΡ€Π°
      • 2. 6. 1. Π­ΠΊΡΠΏΠ΅Ρ€ΠΈΠΌΠ΅Π½Ρ‚Π°Π»ΡŒΠ½ΠΎΠ΅ ΠΈΠ·ΡƒΡ‡Π΅Π½ΠΈΠ΅ влияния структуры Π½Π° Π°ΠΊΡ‚ΠΈΠ²Π½ΠΎΡΡ‚ΡŒ соСдинСний
      • 2. 6. 2. ΠšΠΎΠΌΠΏΡŒΡŽΡ‚Π΅Ρ€Π½Ρ‹ΠΉ поиск Π°ΠΊΡ‚ΠΈΠ²Π½Ρ‹Ρ… соСдинСний
  • Π“Π»Π°Π²Π° 3. Π Π΅Π·ΡƒΠ»ΡŒΡ‚Π°Ρ‚Ρ‹ ΠΈ ΠΎΠ±ΡΡƒΠΆΠ΄Π΅Π½ΠΈΠ΅
    • 3. 1. Π Π°Π·Ρ€Π°Π±ΠΎΡ‚ΠΊΠ° ΠΈ Ρ‚СстированиС ΠΎΡ†Π΅Π½ΠΎΡ‡Π½Ρ‹Ρ… Ρ„ΡƒΠ½ΠΊΡ†ΠΈΠΉ для ΠΌΠ΅ΠΌΠ±Ρ€Π°Π½Π½Ρ‹Ρ… Π±Π΅Π»ΠΊΠΎΠ²
      • 3. 1. 1. Анализ ΡΠΊΡΠΏΠ΅Ρ€ΠΈΠΌΠ΅Π½Ρ‚Π°Π»ΡŒΠ½ΠΎ установлСнных структур ΠΌΠ΅ΠΌΠ±Ρ€Π°Π½Π½Ρ‹Ρ… Π±Π΅Π»ΠΊΠΎΠ²
      • 3. 1. 2. ΠšΡ€ΡƒΠΏΠ½ΠΎΠ·Π΅Ρ€Π½ΠΈΡΡ‚Π°Ρ ΠΈ ΠΏΠΎΠ»Π½ΠΎΠ°Ρ‚омная ΠΎΡ†Π΅Π½ΠΎΡ‡Π½Ρ‹Π΅ Ρ„ΡƒΠ½ΠΊΡ†ΠΈΠΈ
      • 3. 1. 3. Π˜Π΄Π΅Π½Ρ‚ΠΈΡ„ΠΈΠΊΠ°Ρ†ΠΈΡ кристаллографичСской структуры родопсина срСди Π½Π°Π±ΠΎΡ€Π° Π½Π΅Ρ‚ΠΎΡ‡Π½Ρ‹Ρ… ΠΌΠΎΠ΄Π΅Π»Π΅ΠΉ
      • 3. 1. 4. Π€ΠΎΡ€ΠΌΡƒΠ»ΠΈΡ€ΠΎΠ²Π°Π½ΠΈΠ΅ критСрия коррСктности структур ΠœΠ‘ Π½Π° ΠΎΡΠ½ΠΎΠ²Π΅ ΠΎΡ†Π΅Π½ΠΎΡ‡Π½Ρ‹Ρ… Ρ„ΡƒΠ½ΠΊΡ†ΠΈΠΉ
      • 3. 1. 5. Π’ΠΎΠ·ΠΌΠΎΠΆΠ½ΠΎΡΡ‚ΡŒ ΠΎΠΏΡ‚ΠΈΠΌΠΈΠ·Π°Ρ†ΠΈΠΈ ΠΌΠΎΠ΄Π΅Π»Π΅ΠΉ с ΠΏΡ€Π°Π²ΠΈΠ»ΡŒΠ½ΠΎΠΉ ΡƒΠΊΠ»Π°Π΄ΠΊΠΎΠΉ основной Ρ†Π΅ΠΏΠΈ
      • 3. 1. 6. ВыявлСниС ошибок Π² Π²Ρ‹Ρ€Π°Π²Π½ΠΈΠ²Π°Π½ΠΈΠΈ с ΠΏΠΎΠΌΠΎΡ‰ΡŒΡŽ Ρ€Π°Π·Ρ€Π°Π±ΠΎΡ‚Π°Π½Π½Ρ‹Ρ… ΠΎΡ†Π΅Π½ΠΎΡ‡Π½Ρ‹Ρ… Ρ„ΡƒΠ½ΠΊΡ†ΠΈΠΉ
      • 3. 1. 7. Π‘Ρ€Π°Π²Π½Π΅Π½ΠΈΠ΅ Ρ€Π°Π·Ρ€Π°Π±ΠΎΡ‚Π°Π½Π½Ρ‹Ρ… ΠΎΡ†Π΅Π½ΠΎΡ‡Π½Ρ‹Ρ… Ρ„ΡƒΠ½ΠΊΡ†ΠΈΠΉ с ΡΡƒΡ‰Π΅ΡΡ‚Π²ΡƒΡŽΡ‰ΠΈΠΌΠΈ
    • 3. 2. Гидрофобная ΠΊΠΎΠΌΠΏΠ»Π΅ΠΌΠ΅Π½Ρ‚Π°Ρ€Π½ΠΎΡΡ‚ΡŒ Π±Π΅Ρ‚Π°-Π±Π»ΠΎΠΊΠ°Ρ‚ΠΎΡ€ΠΎΠ² Π² ΡΠ°ΠΉΡ‚Π΅ связывания Ρ€2-адрСнэргичСского Ρ€Π΅Ρ†Π΅ΠΏΡ‚ΠΎΡ€Π° ΠΈ Π΅Ρ‘ ΠΈΡΠΏΠΎΠ»ΡŒΠ·ΠΎΠ²Π°Π½ΠΈΠ΅ для прСдсказания константы связывания
      • 3. 2. 1. Анализ Π³ΠΈΠ΄Ρ€ΠΎΡ„ΠΎΠ±Π½ΠΎΠΉ ΠΎΡ€Π³Π°Π½ΠΈΠ·Π°Ρ†ΠΈΠΈ комплСксов Π²Π Π‘Π― с Π»ΠΈΠ³Π°Π½Π΄Π°ΠΌΠΈ
      • 3. 2. 2. Π Π΅Π·ΡƒΠ»ΡŒΡ‚Π°Ρ‚Ρ‹ Π΄ΠΎΠΊΠΈΠ½Π³Π° Π±Π΅Ρ‚Π°-Π±Π»ΠΎΠΊΠ°Ρ‚ΠΎΡ€ΠΎΠ²
      • 3. 2. 3. ΠšΠΎΠΌΠΏΠ»Π΅ΠΌΠ΅Π½Ρ‚Π°Ρ€Π½ΠΎΡΡ‚ΡŒ Π³ΠΈΠ΄Ρ€ΠΎΡ„ΠΎΠ±Π½Ρ‹Ρ… свойств Π² ΠΊΠΎΠΌΠΏΠ»Π΅ΠΊΡΠ°Ρ… Π±Π΅Ρ‚Π°-Π±Π»ΠΎΠΊΠ°Ρ‚ΠΎΡ€ΠΎΠ²
      • 3. 2. 4. ЀрагмСнтарная функция расчСта аффинности
      • 3. 2. 5. Поиск соСдинСний с ΠΏΠΎΡ‚Π΅Π½Ρ†ΠΈΠ°Π»ΡŒΠ½ΠΎ высокой Π°Ρ„Ρ„ΠΈΠ½Π½ΠΎΡΡ‚ΡŒΡŽ
      • 3. 2. 6. Π‘Ρ€Π°Π²Π½Π΅Π½ΠΈΠ΅ ΠΏΡ€Π΅Π΄Π»ΠΎΠΆΠ΅Π½Π½ΠΎΠ³ΠΎ ΠΌΠ΅Ρ‚ΠΎΠ΄Π° прСдсказания аффинности с ΡΡƒΡ‰Π΅ΡΡ‚Π²ΡƒΡŽΡ‰ΠΈΠΌΠΈ

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