Mekanika molekul

Istilah mekanika molekul merujuk pada penggunaan mekanika Newton untuk memodelkan sistem molekul. Pendekatan mekanika molekul secara luas diterapkan pada penemuan struktur molekul yang teliti, simulasi dinamika molekul, simulasi Monte Carlo, dan simulasi doking ligan.

Paket Perangkat Lunak

Beberapa perangkat lunak yang biasa digunakan

  • Amber
  • Atomsmith
  • CHARMM
  • GROMOS
  • dll.

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