Biblio
Found 6 results
Filters: Author is Caflisch, A. and Keyword is continuum electrostatics [Clear All Filters]
Ligand retargeting by binding site analogy. European Journal of Medicinal Chemistry. 175:107-113.
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2019. Fast analytical continuum treatments of solvation. Modeling Solvent Environments: Applications to Simulations of Biomolecules. :209-232.
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2010. Hydrophobicity maps and docking of molecular fragments with solvation. Virtual Screening: An Alternative or Complement to High Throughput Screening? . 20:145-169.
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2002. Comment on the validation of continuum electrostatics models. Journal of Computational Chemistry. 20(14):1533–1536.
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1999. Continuum electrostatic energies of macromolecules in aqueous solutions. The Journal of Physical Chemistry A. 101(43):8098-8106.
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1997. Docking by Monte Carlo minimization with a solvation correction: Application to an FKBP—substrate complex. Journal of Computational Chemistry. 18(6):723–743.
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1997.