Dinamika molekuler

Dinamika molekuler adalah pendekatan mengunakan komputer untuk melakukan simulasi agar dapat memahami dinamika molekul biologi dengan menciptakan interaksi atom-atom dan molekul lalu menganalisis pergerakan fisik dan interaksi kimiawi yang terjadi.[1] Lintasan dari gerak dapat dihitung menggunakan pemecahan numerik dari perhitungan gerak Hukum Newton,[2] sedangkan perhitungan untuk energi potensialnya menggunakan potensial interatomik.[3]

Referensi

  1. ^ Badar, Mohammad Sufian; Shamsi, Shazmeen; Ahmed, Jawed; Alam, Md. Afshar (2022). Rezaei, Nima, ed. Molecular Dynamics Simulations: Concept, Methods, and Applications. Integrated Science (dalam bahasa Inggris). Cham: Springer International Publishing. hlm. 131–151. doi:10.1007/978-3-030-94651-7_7. ISBN 978-3-030-94651-7. 
  2. ^ Polanski, J. (2009-01-01). Brown, Steven D.; Tauler, Romá; Walczak, Beata, ed. 4.14 - Chemoinformatics (dalam bahasa Inggris). Oxford: Elsevier. hlm. 459–506. doi:10.1016/b978-044452701-1.00006-5. ISBN 978-0-444-52701-1. 
  3. ^ Devanathan, Ram (2020). Andreoni, Wanda; Yip, Sidney, ed. Interatomic Potentials for Nuclear Materials (dalam bahasa Inggris). Cham: Springer International Publishing. hlm. 2141–2159. doi:10.1007/978-3-319-44680-6_118. ISBN 978-3-319-44680-6. 

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