The European Physical Journal A

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323 citations0/0 files storedThe European Physical Journal A

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History of Science and Medicine Protein Structure and Dynamics Philosophy and History of Science

Abstract

In this essay, we aim to illustrate how Martin Karplus and his research group effectively set in motion the engine of molecular dynamics (MD) simulations of biomolecules.This process saw its prodromes between 1969 and the early 1970s with Karplus' landing in biology, a transition that came to fruition with the treatment of 11-cis-retinal photoisomerization and the development of an allosteric model to account for the mechanism of cooperativity in hemoglobin.In 1977, J.

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