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Article ID: 907 - Last Modified:

Is it possible to run an MD simulation with implicit solvent using Desmond?

Although it is possible to run a gas-phase simulation in Desmond, the main application of the software is in running explicit solvent simulations. If you want to run MD simulations in an implicit solvent, you can use MacroModel.

Keywords: Dynamics, Poisson-Bolzmann, PB, Generalized Born, GB

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