Calculation of site enthalpy for binding of ligands and protons to macromolecules
β Scribed by E. Fisicaro; A. Braibanti; J.D. Lamb; J.L. Oscarson
- Book ID
- 103417748
- Publisher
- Elsevier Science
- Year
- 1990
- Tongue
- English
- Weight
- 956 KB
- Volume
- 168
- Category
- Article
- ISSN
- 0040-6031
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A new method has been developed for determining macroscopic binding constants of a few surfactants to some macromolecules. Then, the binding of ionic surfactants (cetyltrimethyl ammonium bromide, tetradecyltrimethyl ammonium bromide, and sodium tetradecyl sulfate) [STS]) to macromolecules (bovine se
## Abstract A new approach to predicting the ligandβbinding sites of proteins was developed, using proteinβligand docking computation. In this method, many compounds in a random library are docked onto the whole protein surface. We assumed that the true ligandβbinding site would exhibit stronger af