Accommodating protein flexibility for structure based drug design
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“Prediction of Soil Sorption Coefficients Using a Universal Solvation Model” Environ.
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Method for including the dynamic fluctuations of a protein in computer-aided drug design.
Application of the SMx models to a wide variety of processes will also be discussed.
This is crucial, because the lipophilicity and number of polar interactions allowed for an oral drug is limited by absorption, distribution, metabolism and toxicology considerations.
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Accommodating protein flexibility in Computational Drug Design.
Many improvements that accommodate protein flexibility in computer-aided drug design are being developed.
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