𝔖 Bobbio Scriptorium
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The Parameterization of Predictive Value for Multisite Screening

✍ Scribed by Richard McHugh, Timothy Church, Jack Mandel and Christine White


Book ID
125771828
Publisher
John Wiley and Sons
Year
1980
Tongue
English
Weight
680 KB
Volume
36
Category
Article
ISSN
0006-341X

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## Abstract Recognizing the limits of trying to achieve chemical accuracy for p__K__~a~ calculations with a purely electrostatic model, we include empirical corrections into the Poisson–Boltzmann solver macroscopic electrostatics with atomic detail (Bashford, Biochemistry 1990;29:10219–10225), to i