Biblio

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