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Merck molecular force field

Merck molecular force field (MMFF) is a family of chemistry force fields developed by Merck Research Laboratories. They are based on the MM3 force field. MMFF is not optimized for one use, such as simulating proteins or small molecules, but tries to perform well for a wide range of organic chemistry calculations. The parameters in the force field have…

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Merck molecular force field

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force field mmff94 mmff chemistry molecular family one wide range parameters computational structures mmff94s implementations proteins molecules merck fields developed

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