Interactions between bio(macro)molecules: Models and methods

Achenbach, Frank; Zahradník, R.

doi:10.1016/0166-1280(88)80127-1

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The Best Contemporary Chance: Computer Experiments1

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1989

1992

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“…The potentialities of Brownian dynamics based on the Langevin formalism [lo, 111 are currently being studied in our laboratory [12]. The translational and rotational motions of all the subsystems belonging to the supersystem under study can be followed.…”

Section: The Best Contemporary Chance: Computer Experimentsmentioning

confidence: 99%

Theoretical approaches to interactions between biomolecules: Legends and approximations to reality

Zahradník

Achenbach

1989

Int J of Quantum Chemistry

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There are significant differences between the conditions for chemical and biochemical reactivity. Therefore, models for treating chemical reactions are mostly not suitable for investigating interactions and transformations of bio(macro)molecules. Common features of numerous processes occurring in vivo and in vitro (such as the role of water, ions, and colloids and the significance of Helmholtz energy surfaces) are outlined. Some characteristics of a model suitable for studying van der Waals interactions between biomacromolecules, based on Brownian dynamics and the Lifshitz theory, are described.

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Section: The Best Contemporary Chance: Computer Experimentsmentioning

confidence: 99%