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Sonja M. Schwarzl

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2000 – 2009

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2005
[j3]
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Sonja M. Schwarzl, Danzhi Huang, Jeremy C. Smith, Stefan Fischer:
Nonuniform charge scaling (NUCS): A practical approximation of solvent electrostatic screening in proteins. J. Comput. Chem. 26(13): 1359-1371 (2005)
2003
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Sonja M. Schwarzl, Danzhi Huang, Jeremy C. Smith, Stefan Fischer:
How well does charge reparametrisation account for solvent screening in molecular mechanics calculations? The example of myosin. Silico Biol. 3(1-2): 187-196 (2003)
2002
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Sonja M. Schwarzl, Thomas B. Tschopp, Jeremy C. Smith, Stefan Fischer:
Can the calculation of ligand binding free energies be improved with continuum solvent electrostatics and an ideal-gas entropy correction?. J. Comput. Chem. 23(12): 1143-1149 (2002)

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