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Interdomain dynamics and ligand binding: molecular dynamics simulations of glutamine binding protein

✍ Scribed by Andrew Pang; Yalini Arinaminpathy; Mark S.P. Sansom; Philip C. Biggin


Book ID
117105715
Publisher
Elsevier Science
Year
2003
Tongue
English
Weight
517 KB
Volume
550
Category
Article
ISSN
0014-5793

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A recently developed method for predicting binding affinities in ligand᎐receptor complexes, based on interaction energy averaging and conformational sampling by molecular dynamics simulation, is presented. Polar and nonpolar contributions to the binding free energy are approximated by a linear scali