Found 6 results
Filters: Keyword is continuum electrostatics  [Clear All Filters]
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.
Marchand F., Caflisch A..  2010.  Fast analytical continuum treatments of solvation. Modeling Solvent Environments: Applications to Simulations of Biomolecules. :209-232.
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.
Scarsi M., Caflisch A..  1999.  Comment on the validation of continuum electrostatics models. Journal of Computational Chemistry. 20(14):1533–1536.