Pemanfaatan Pemodelan Struktur Protein dan Simulasi Dinamika Molekuler dalam Menganalisis Dampak Mutasi terhadap Struktur dan Stabilitas Protein: Suatu Tinjauan

Authors

  • ID Abdurrahman Ilyas Al Muflih Universitas Padjadjaran, Sumedang, Indonesia Indonesia Author

DOI:

https://doi.org/10.66914/gxg84y27

Keywords:

mutasi protein, pemodelan struktur, dinamika molekuler, stabilitas protein, analisis struktural.

Abstract

Mutasi asam amino dapat mengubah interaksi molekuler dan memengaruhi struktur, dinamika, serta stabilitas protein, tetapi dampaknya tidak selalu dapat dijelaskan melalui struktur statis. Tinjauan ini bertujuan mengkaji pemanfaatan pemodelan struktur protein dan simulasi dinamika molekuler untuk menganalisis konsekuensi mutasi pada tingkat molekuler. Kajian dilakukan melalui penelusuran dan sintesis literatur mengenai pemodelan struktur protein, prinsip simulasi dinamika molekuler, serta parameter analisis trajektori. Hasil kajian menunjukkan bahwa pemodelan struktur memberikan konteks spasial untuk mengidentifikasi perubahan pada residu dan lingkungan strukturalnya, sedangkan simulasi dinamika molekuler memungkinkan perubahan konformasi dan interaksi protein ditelusuri sepanjang waktu. Analisis RMSD, RMSF, Rg, struktur sekunder, SASA, hydrogen bond, jarak antarresidu, DCCM, dan PCA memberikan informasi yang saling melengkapi mengenai perubahan struktur dan dinamika protein. Integrasi kedua pendekatan tersebut dapat digunakan untuk menelusuri hubungan antara perubahan urutan asam amino, reorganisasi struktur dan interaksi molekuler, serta perubahan dinamika protein yang berkaitan dengan stabilitas dan fungsi biologis.

 

Kata kunci: mutasi protein; pemodelan struktur; dinamika molekuler; stabilitas protein; analisis struktural.

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Published

2026-08-30

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Vol. 2 No. 8 (2026): Sinergi: Jurnal Ilmiah Multidisiplin

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