(Q99193001)

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Simulation of activation free energies in molecular systems

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Simulation of activation free energies in molecular systems (English)

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3

Martin Karplus

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Eyal Neria

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1

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Stefan Fischer

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2

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publication date

August 1996

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Journal of Chemical Physics

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volume

105

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page(s)

1902-1921

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issue

5

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Theoretical studies of enzymic reactions: dielectric, electrostatic and steric stabilization of the carbonium ion in the reaction of lysozyme

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Some Studies Concerning Rotating Axes and Polyatomic Molecules

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A mechanism for rotamase catalysis by the FK506 binding protein (FKBP)

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10.1063/1.472061

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(Q99193001)

Simulation of activation free energies in molecular systems

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