• Jitendra Sasumana
• Vikas Kaushik

Molecular Dynamics Simulation is a form of computer simulation, where atoms and molecules are allowed to interact for a period of time under some laws of physics. Calculates the time dependent behaviour of a molecular system. Simulations have provided detailed information on the fluctuations and conformational changes of proteins and nucleic acids. Used to investigate the structure, dynamics and thermodynamics of biological molecules and their complexes. One of the principal tools in the theoretical study of biological molecules.

investigate, structure, dynamics

"Molecular Dynamics Simulation by using NAMD-VMD and Gromacs ", International Journal of Emerging Technologies and Innovative Research (www.jetir.org), ISSN:2349-5162, Vol.5, Issue 12, page no.369-382, December 2018, Available :http://www.jetir.org/papers/JETIREB06044.pdf

"Molecular Dynamics Simulation by using NAMD-VMD and Gromacs ", International Journal of Emerging Technologies and Innovative Research (www.jetir.org | UGC and issn Approved), ISSN:2349-5162, Vol.5, Issue 12, page no. pp369-382, December 2018, Available at : http://www.jetir.org/papers/JETIREB06044.pdf