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How Well Does Charge Reparametrisation Account for Solvent Screening in Molecular Mechanics Calculations? The Example of Myosin.
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- In Silico Biology, 2003, v. 3, n. 1/2, p. 187
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- Article
Nonuniform charge scaling (NUCS): A practical approximation of solvent electrostatic screening in proteins.
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- Journal of Computational Chemistry, 2005, v. 26, n. 13, p. 1359, doi. 10.1002/jcc.20274
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- Publication type:
- Article
Can the calculation of ligand binding free energies be improved with continuum solvent electrostatics and an ideal-gas entropy correction?
- Published in:
- Journal of Computational Chemistry, 2002, v. 23, n. 12, p. 1143, doi. 10.1002/jcc.10112
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- Article