{"id":4877,"date":"2026-08-11T14:40:58","date_gmt":"2026-08-11T05:40:58","guid":{"rendered":"https:\/\/bdsl.jbnu.ac.kr\/blog\/?p=4877"},"modified":"2026-08-11T14:43:38","modified_gmt":"2026-08-11T05:43:38","slug":"molecular-dynamics-simulation","status":"publish","type":"post","link":"https:\/\/bdsl.jbnu.ac.kr\/blog\/molecular-dynamics-simulation\/","title":{"rendered":"Molecular Dynamics Simulation"},"content":{"rendered":"\n

Introduction <\/h2>\n\n\n\n

Molecular dynamics (MD) simulation is a computational method for studying the dynamic behavior of biomolecules, including proteins, DNA, and small molecules. It provides insights into molecular motions, interactions, and the mechanisms underlying biological functions.<\/p>\n\n\n\n

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  1. Introduction to Molecular Dynamics Simulation<\/li>\n\n\n\n
  2. Introduction to GROMACS <\/li>\n\n\n\n
  3. Simulation with a soluble protein <\/li>\n\n\n\n
  4. Simulation with non-natural amino acids<\/li>\n<\/ol>\n\n\n\n

    <\/p>\n\n\n\n

    1. Introduction to Molecular Dynamics Simulation<\/h2>\n\n\n\n

    This document introduces the basic principles of molecular dynamics simulation, including how molecular systems are represented and how their motions are simulated using classical mechanics. <\/p>\n\n\n\n

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    Introduction to Molecular Dynamics Simulation<\/a><\/blockquote>