Calmodulin inhibitors from the fungus Emericella sp.

Automated docking using a Lamarckian genetic algorithm and an empirical binding free energy function

Garrett M. Morris, David S. Goodsell, Robert S. Halliday et al. · Journal of Computational Chemistry · 1998 · 10.7K citations

Engineering, Molecular Biology, Computational Chemistry +22

The determination of enzyme inhibitor constants

Martin Dixon · Biochemical Journal · 1953 · 4.1K citations · Full text

Bioorganic Chemistry, Chemical Biology, Molecular Pharmacology +17

High-field FT NMR application of Mosher's method. The absolute configurations of marine terpenoids

Ikuko I. Ohtani, Takenori Kusumi, Yoel Kashman et al. · Journal of the American Chemical Society · 1991 · 3.2K citations

Engineering, Chemical Analysis, Biochemistry +14

Optimization of Gaussian-type basis sets for local spin density functional calculations. Part I. Boron through neon, optimization technique and validation

Nathalie Godbout, Dennis R. Salahub, Jan Andzelm et al. · Canadian Journal of Chemistry · 1992 · 3K citations

Engineering, Part I. Boron, Magnetic Resonance +20

An internal-coordinate Monte Carlo method for searching conformational space

George Chang, Wayne C. Guida, W. Clark Still · Journal of the American Chemical Society · 1989 · 1.1K citations

Numerical Analysis, Engineering, Altmetric Attention Score +20