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Calculation of optical Properties from Molecular-Dynamics Simulations of Light-Harvesting Systems

✍ Scribed by Olbrich, Carsten; Liebers, Jörg; Kleinekathöfer, Ulrich

Book ID
119207063
Publisher
Biophysical Society
Year
2010
Tongue
English
Weight
98 KB
Volume
98
Category
Article
ISSN
0006-3495

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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