A DFT study of hydration in neutral and zwitterionic norfloxacin

A new integral equation formalism for the polarizable continuum model: Theoretical background and applications to isotropic and anisotropic dielectrics

Éric Cancès, Benedetta Mennucci, J. Tomasi · The Journal of Chemical Physics · 1997 · 6.8K citations

Natural Sciences, Chemistry, Materials Science +17

Remarks on the use of the apparent surface charges (ASC) methods in solvation problems: Iterative versus matrix‐inversion procedures and the renormalization of the apparent charges

Roberto Cammi, J. Tomasi · Journal of Computational Chemistry · 1995 · 1.4K citations

Natural Sciences, Chemistry, Computational Biophysics +12

Incorporation of solvent effects into density functional calculations of molecular energies and geometries

Jan Andzelm, Christoph Kölmel, Andreas Klamt · The Journal of Chemical Physics · 1995 · 854 citations

Natural Sciences, Chemistry, Physics +15

Structure-activity relationships of antibacterial 6,7- and 7,8-disubstituted 1-alkyl-1,4-dihydro-4-oxoquinoline-3-carboxylic acids

Hiroshi Koga, Akira Itoh, Satoshi Murayama et al. · Journal of Medicinal Chemistry · 1980 · 483 citations

Pharmacy, Chemistry, Medicinal Chemistry +13

Mechanism of inhibition of DNA gyrase by quinolone antibacterials: a cooperative drug-DNA binding model

Linus L. Shen, Lester A. Mitscher, Padam N. Sharma et al. · Biochemistry · 1989 · 416 citations

Life Sciences, Medicinal Chemistry, Molecular Biology +16