DFT calculations, Hirshfeld surface analysis and docking studies of 3-anisaldehyde thiosemicarbazone

A new hybrid exchange–correlation functional using the Coulomb-attenuating method (CAM-B3LYP)

Takeshi Yanai, David P. Tew, Nicholas C. Handy · Chemical Physics Letters · 2004 · 14.8K citations

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Cancer statistics, 2012

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Hirshfeld surface analysis

Mark A. Spackman, Dylan Jayatilaka · CrystEngComm · 2008 · 7.8K citations

Natural Sciences, Chemistry, Computational Chemistry +12

Determining atom‐centered monopoles from molecular electrostatic potentials. The need for high sampling density in formamide conformational analysis

Curt M. Breneman, Kenneth B. Wiberg · Journal of Computational Chemistry · 1990 · 4.8K citations

Natural Sciences, Chemistry, Physics +17

PatchDock and SymmDock: servers for rigid and symmetric docking

Dina Schneidman‐Duhovny, Yoel Inbar, Ruth Nussinov et al. · Nucleic Acids Research · 2005 · 3.1K citations · Full text

Life Sciences, Bioinformatics, Molecular Biology +17