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Structure and metal centers: The protein formula of beef heart cytochrome c oxidase

✍ Scribed by Gerhard Buse; Lothar Meinecke; Bernhard Bruch

Publisher
Elsevier Science
Year
1985
Tongue
English
Weight
273 KB
Volume
23
Category
Article
ISSN
0162-0134

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## Abstract Reliable atomic point charges are of key importance for a correct description of the electrostatic interactions when performing classical, force field based simulations. Here, we present a systematic procedure for point charge derivation, based on quantum mechanical methodology suited f