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- W1998907862 abstract "A molecular dynamics simulation of the operator binding domain of the lambda repressor protein has been carried out. The protein was embedded in explicit waters, Na+ and CL− ions. The Amber 4.1 computer package and the Cornell et al. Force field were used for energy-minimization and molecular dynamics simulation. We find that the atoms distributions in the environment of waters and Na+ ions are in excellent agreement with those derived from the analysis of water molecules in crystal structures and ion-binding proteins. We also find that, on the whole, both distributions are similar to each other. Proteins 2000;39:212–215. © 2000 Wiley-Liss, Inc." @default.
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- W1998907862 date "2000-05-15" @default.
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- W1998907862 title "Molecular dynamics simulation accurately predicts the experimentally-observed distributions of the (C, N, O) protein atoms around water molecules and sodium ions" @default.
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- W1998907862 doi "https://doi.org/10.1002/(sici)1097-0134(20000515)39:3<212::aid-prot30>3.0.co;2-c" @default.
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