Sugar Recognition by a Glucose/Galactose Receptor EVALUATION OF BINDING ENERGETICS FROM MOLECULAR DYNAMICS SIMULATIONS
作者： Johan , Sherry L. Mowbray
关键词: Periplasmic space 、 Molecular dynamics 、 Energetics 、 Computational chemistry 、 Receptor 、 Galactose 、 Sugar 、 Chemistry
摘要: A new theoretical method for free energy calculations is used to compute the absolute binding constants β-D-glucose and methyl-β-D-galactoside periplasmic glucose/galactose receptor from ...
sci-hub.se 参考文章(20)
S.L. Mowbray, Structure of the periplasmic glucose/galactose receptor of Salmonella typhimurium. Receptor. ,vol. 1, pp. 41- 53 ,(1991) , 10.2210/PDB3GBP/PDB
Johan Aaqvist, Michael Fothergill, Arieh Warshel, Computer Simulation of the CO2/HCO3- Interconversion Step in Human Carbonic Anhydrase I Journal of the American Chemical Society. ,vol. 115, pp. 631- 635 ,(1993) , 10.1021/JA00055A036
Y Anraku, Transport of sugars and amino acids in bacteria. I. Purification and specificity of the galactose- and leucine-binding proteins. Journal of Biological Chemistry. ,vol. 243, pp. 3116- 3122 ,(1968) , 10.1016/S0021-9258(18)93385-5
Johan Åqvist, Carmen Medina, Jan-Erik Samuelsson, A New Method for Predicting Binding Affinity in Computer-Aided Drug Design Protein Engineering. ,vol. 7, pp. 385- 391 ,(1994) , 10.1093/PROTEIN/7.3.385
M.M. Flocco, S.L. Mowbray, The 1.9 A x-ray structure of a closed unliganded form of the periplasmic glucose/galactose receptor from Salmonella typhimurium. Journal of Biological Chemistry. ,vol. 269, pp. 8931- 8936 ,(1994) , 10.1016/S0021-9258(17)37057-6
S. Miyamoto, P. A. Kollman, What determines the strength of noncovalent association of ligands to proteins in aqueous solution Proceedings of the National Academy of Sciences of the United States of America. ,vol. 90, pp. 8402- 8406 ,(1993) , 10.1073/PNAS.90.18.8402
Gilbert Richarme, Adam Kepes, Study of binding protein-ligand interaction by ammonium sulfate-assisted adsorption on cellulose esters filters. Biochimica et Biophysica Acta. ,vol. 742, pp. 16- 24 ,(1983) , 10.1016/0167-4838(83)90353-9
Frederick S. Lee, Arieh Warshel, A local reaction field method for fast evaluation of long‐range electrostatic interactions in molecular simulations Journal of Chemical Physics. ,vol. 97, pp. 3100- 3107 ,(1992) , 10.1063/1.462997
Ruth S. Zukin, Philip G. Strange, Laurence R. Heavey, D. E. Koshland, Properties of the Galactose Binding Protein of Salmonella typhimurium and Escherichia coli Biochemistry. ,vol. 16, pp. 381- 386 ,(1977) , 10.1021/BI00622A007
Jin-yu Zou, Maria M. Flocco, Sherry L. Mowbray, The 1·7 Å Refined X-ray Structure of the Periplasmic Glucose/Galactose Receptor from Salmonella typhimurium Journal of Molecular Biology. ,vol. 233, pp. 739- 752 ,(1993) , 10.1006/JMBI.1993.1549