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Model calculation of binding energies for multihole copper centers in germanium

✍ Scribed by L.E. Oliveira; L.M. Falicov

Publisher
Elsevier Science
Year
1985
Tongue
English
Weight
294 KB
Volume
56
Category
Article
ISSN
0038-1098

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## Abstract The calculation of ligand‐nucleic acid binding free energies is investigated by including solvation effects computed with the generalized‐Born model. Modifications of the solvation module in DOCK, including introduction of all‐atom parameters and revision of coefficients in front of dif